Home Carboxys tert-butyl 4-(carbamothioylamino)piperidine-1-carboxylate

tert-butyl 4-(carbamothioylamino)piperidine-1-carboxylate

CAS No.:
849546-62-9
Catalog Number:
AG01AC71
Molecular Formula:
C11H21N3O2S
Molecular Weight:
259.3683
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Product Description
Catalog Number:
AG01AC71
Chemical Name:
tert-butyl 4-(carbamothioylamino)piperidine-1-carboxylate
CAS Number:
849546-62-9
Molecular Formula:
C11H21N3O2S
Molecular Weight:
259.3683
MDL Number:
MFCD26935995
IUPAC Name:
tert-butyl 4-(carbamothioylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C11H21N3O2S/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)13-9(12)17/h8H,4-7H2,1-3H3,(H3,12,13,17)
InChI Key:
KXHNTGAMNKYTRF-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NC(=S)N)OC(C)(C)C
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.135g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.368g/mol
Monoisotopic Mass:
259.135g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties