(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide

C14H24N4O2S — CID 129398362

IUPAC(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C14H24N4O2S/c19-21(20,17-12-4-1-2-5-12)14-6-3-7-18(10-14)9-13-8-15-11-16-13/h8,11-12,14,17H,1-7,9-10H2,(H,15,16)/t14-/m0/s1
InChIKeyQNHPJLOEOJNRFS-AWEZNQCLSA-N
MW312.44 g/mol
LogP1.24
Rot. Bonds5

About (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide

(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide (PubChem CID 129398362) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide
PubChem CID129398362
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C14H24N4O2S/c19-21(20,17-12-4-1-2-5-12)14-6-3-7-18(10-14)9-13-8-15-11-16-13/h8,11-12,14,17H,1-7,9-10H2,(H,15,16)/t14-/m0/s1
InChIKeyQNHPJLOEOJNRFS-AWEZNQCLSA-N
XLogP1.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 124621953
(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 124616923
(3S)-1-(1H-imidazol-5-ylmethyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 125003717
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
CID 124616926
N-cyclopentyl-1-(2-methylprop-2-enyl)piperidine-3-sulfonamide
CID 122138742
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
CID 118747416
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124952532
(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine
CID 30726777

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide?
The IUPAC name of (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide (CID 129398362) is (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide is O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2cnc[nH]2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide?
The InChIKey is QNHPJLOEOJNRFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O2S/c19-21(20,17-12-4-1-2-5-12)14-6-3-7-18(10-14)9-13-8-15-11-16-13/h8,11-12,14,17H,1-7,9-10H2,(H,15,16)/t14-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide?
(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide is sourced from PubChem (CID 129398362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).