9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C17H32ClN3O3S — CID 120992414

IUPAC9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCS(=O)(=O)NC1CCCC1CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C17H31N3O3S.ClH/c1-24(22,23)20-15-7-3-6-13(15)10-19-17(21)14-8-11-4-2-5-12(9-14)16(11)18;/h11-16,20H,2-10,18H2,1H3,(H,19,21);1H
InChIKeyDNVFNPXCIAJWJN-UHFFFAOYSA-N
MW393.98 g/mol
LogP1.40
Rot. Bonds5

About 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992414) has the molecular formula C17H32ClN3O3S and a molecular weight of 393.98 g/mol. Its IUPAC name is 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120992414
Molecular FormulaC17H32ClN3O3S
Molecular Weight393.98 g/mol
Exact Mass393.19
IUPAC Name9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCS(=O)(=O)NC1CCCC1CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C17H31N3O3S.ClH/c1-24(22,23)20-15-7-3-6-13(15)10-19-17(21)14-8-11-4-2-5-12(9-14)16(11)18;/h11-16,20H,2-10,18H2,1H3,(H,19,21);1H
InChIKeyDNVFNPXCIAJWJN-UHFFFAOYSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.98
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119821597
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-[(2-propan-2-yloxan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991857
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]butanamide;hydrochloride
CID 119821617
9-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991798
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide
CID 120992413
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119345210
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pentanamide;hydrochloride
CID 119345236
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
CID 119821615
2-(4-aminophenyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]acetamide;hydrochloride
CID 119821585

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992414) is 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CS(=O)(=O)NC1CCCC1CNC(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is DNVFNPXCIAJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S.ClH/c1-24(22,23)20-15-7-3-6-13(15)10-19-17(21)14-8-11-4-2-5-12(9-14)16(11)18;/h11-16,20H,2-10,18H2,1H3,(H,19,21);1H.
What are the key properties of 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 393.98 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).