tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate

C12H25N3O4S — CID 79462833

IUPACtert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCS(N)(=O)=O)C1
InChIInChI=1S/C12H25N3O4S/c1-12(2,3)19-11(16)15-10-5-4-9(8-10)14-6-7-20(13,17)18/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyZVSXSAFCNZBVMJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.31
Rot. Bonds5

About tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate

tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate (PubChem CID 79462833) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
PubChem CID79462833
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Nametert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCS(N)(=O)=O)C1
InChIInChI=1S/C12H25N3O4S/c1-12(2,3)19-11(16)15-10-5-4-9(8-10)14-6-7-20(13,17)18/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyZVSXSAFCNZBVMJ-UHFFFAOYSA-N
XLogP0.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate
CID 103719905
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
CID 106171027

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate (CID 79462833) is tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCCS(N)(=O)=O)C1.
What is the InChIKey of tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate?
The InChIKey is ZVSXSAFCNZBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-12(2,3)19-11(16)15-10-5-4-9(8-10)14-6-7-20(13,17)18/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H2,13,17,18).
What are the key properties of tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79462833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).