Name: Name:tert-butyl 1-[(thiophen-3-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxylate
Brand: Angene
SKU: AG01AGGH
Rating: 90 (10 reviews)

tert-butyl 1-[(thiophen-3-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxylate

CAS No.:

1803583-51-8

Catalog Number:

AG01AGGH

Molecular Formula:

C17H26N2O2S

Molecular Weight:

322.4655

Catalog Number:

AG01AGGH

Chemical Name:

tert-butyl 1-[(thiophen-3-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxylate

CAS Number:

1803583-51-8

Molecular Formula:

C17H26N2O2S

Molecular Weight:

322.4655

MDL Number:

MFCD28118229

IUPAC Name:

tert-butyl 2-(thiophen-3-ylmethylamino)-6-azaspiro[2.5]octane-6-carboxylate

InChI:

InChI=1S/C17H26N2O2S/c1-16(2,3)21-15(20)19-7-5-17(6-8-19)10-14(17)18-11-13-4-9-22-12-13/h4,9,12,14,18H,5-8,10-11H2,1-3H3

InChI Key:

HFYUUBGLZRLVKQ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC2(CC1)CC2NCc1cscc1)OC(C)(C)C

Complexity:

413

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.171g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.467g/mol

Monoisotopic Mass:

322.171g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7