N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide

C18H27N3O3S — CID 119603072

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESNCC1CCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H27N3O3S/c19-12-14-6-4-10-17(14)20-18(22)15-7-5-11-21(13-15)25(23,24)16-8-2-1-3-9-16/h1-3,8-9,14-15,17H,4-7,10-13,19H2,(H,20,22)
InChIKeyDRAYQDHGVFFHIU-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide (PubChem CID 119603072) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
PubChem CID119603072
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESNCC1CCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H27N3O3S/c19-12-14-6-4-10-17(14)20-18(22)15-7-5-11-21(13-15)25(23,24)16-8-2-1-3-9-16/h1-3,8-9,14-15,17H,4-7,10-13,19H2,(H,20,22)
InChIKeyDRAYQDHGVFFHIU-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119602759
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119612285
N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
CID 119612151
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(benzenesulfonyl)piperidin-3-yl]methanone;hydrochloride
CID 119632895
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
1-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-1-phenylthiourea
CID 22303299
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
(3S)-1-(4-acetamidophenyl)sulfonyl-N-[(1R,2R)-2-benzamidocyclohexyl]piperidine-3-carboxamide
CID 93013562

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide (CID 119603072) is N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide is NCC1CCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide?
The InChIKey is DRAYQDHGVFFHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c19-12-14-6-4-10-17(14)20-18(22)15-7-5-11-21(13-15)25(23,24)16-8-2-1-3-9-16/h1-3,8-9,14-15,17H,4-7,10-13,19H2,(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119603072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).