[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C17H25N3O3S — CID 125167123

IUPAC[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)C2(c3ccccc3)CCNCC2)C1
InChIInChI=1S/C17H25N3O3S/c18-24(22,23)13-14-6-11-20(12-14)16(21)17(7-9-19-10-8-17)15-4-2-1-3-5-15/h1-5,14,19H,6-13H2,(H2,18,22,23)/t14-/m0/s1
InChIKeyRJDUUCIPNXZEPU-AWEZNQCLSA-N
MW351.47 g/mol
LogP0.44
Rot. Bonds4

About [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 125167123) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID125167123
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)C2(c3ccccc3)CCNCC2)C1
InChIInChI=1S/C17H25N3O3S/c18-24(22,23)13-14-6-11-20(12-14)16(21)17(7-9-19-10-8-17)15-4-2-1-3-5-15/h1-5,14,19H,6-13H2,(H2,18,22,23)/t14-/m0/s1
InChIKeyRJDUUCIPNXZEPU-AWEZNQCLSA-N
XLogP0.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone
CID 115734108
[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 124847487
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 125167123) is [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)C[C@H]1CCN(C(=O)C2(c3ccccc3)CCNCC2)C1.
What is the InChIKey of [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RJDUUCIPNXZEPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3S/c18-24(22,23)13-14-6-11-20(12-14)16(21)17(7-9-19-10-8-17)15-4-2-1-3-5-15/h1-5,14,19H,6-13H2,(H2,18,22,23)/t14-/m0/s1.
What are the key properties of [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125167123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).