Name: Name:tert-butyl tetrahydro-2H-pyrrolo[3,4-d]isothiazole-5(3H)-carboxylate 1,1-dioxide
Brand: Angene
SKU: AG01DI3H
Rating: 90 (10 reviews)

tert-butyl tetrahydro-2H-pyrrolo[3,4-d]isothiazole-5(3H)-carboxylate 1,1-dioxide

CAS No.:

1823230-79-0

Catalog Number:

AG01DI3H

Molecular Formula:

C10H18N2O4S

Molecular Weight:

262.3259

Catalog Number:

AG01DI3H

Chemical Name:

tert-butyl tetrahydro-2H-pyrrolo[3,4-d]isothiazole-5(3H)-carboxylate 1,1-dioxide

CAS Number:

1823230-79-0

Molecular Formula:

C10H18N2O4S

Molecular Weight:

262.3259

MDL Number:

MFCD26405881

IUPAC Name:

tert-butyl 1,1-dioxo-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-d][1,2]thiazole-5-carboxylate

InChI:

InChI=1S/C10H18N2O4S/c1-10(2,3)16-9(13)12-5-7-4-11-17(14,15)8(7)6-12/h7-8,11H,4-6H2,1-3H3

InChI Key:

REYRCSJRCYPTTR-UHFFFAOYSA-N

SMILES:

O=C(N1CC2C(C1)S(=O)(=O)NC2)OC(C)(C)C

Complexity:

421

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.324g/mol

Monoisotopic Mass:

262.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1