(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide

C15H26N4O2S — CID 124616926

IUPAC(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)[C@H]1CCCN(CCn2ccnc2)C1
InChIInChI=1S/C15H26N4O2S/c20-22(21,17-14-4-1-2-5-14)15-6-3-8-18(12-15)10-11-19-9-7-16-13-19/h7,9,13-15,17H,1-6,8,10-12H2/t15-/m0/s1
InChIKeyKZVDWUKZRMRQMR-HNNXBMFYSA-N
MW326.47 g/mol
LogP1.21
Rot. Bonds6

About (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide

(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide (PubChem CID 124616926) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
PubChem CID124616926
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)[C@H]1CCCN(CCn2ccnc2)C1
InChIInChI=1S/C15H26N4O2S/c20-22(21,17-14-4-1-2-5-14)15-6-3-8-18(12-15)10-11-19-9-7-16-13-19/h7,9,13-15,17H,1-6,8,10-12H2/t15-/m0/s1
InChIKeyKZVDWUKZRMRQMR-HNNXBMFYSA-N
XLogP1.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-1-(2-imidazol-1-ylethyl)piperidin-3-yl]sulfonylmorpholine
CID 124885146
N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide
CID 84598150
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 124616923
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
(3R)-N-cyclopentyl-1-methylsulfonylpiperidine-3-sulfonamide
CID 97348297
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide?
The IUPAC name of (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide (CID 124616926) is (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide is O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCn2ccnc2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide?
The InChIKey is KZVDWUKZRMRQMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c20-22(21,17-14-4-1-2-5-14)15-6-3-8-18(12-15)10-11-19-9-7-16-13-19/h7,9,13-15,17H,1-6,8,10-12H2/t15-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide?
(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide is sourced from PubChem (CID 124616926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).