1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide

C18H22N2O3S — CID 126804241

IUPAC1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(C(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)C1CC1
InChIInChI=1S/C18H22N2O3S/c1-2-12-20(16-10-11-16)18(21)15-7-6-13-19(14-15)24(22,23)17-8-4-3-5-9-17/h1,3-5,8-9,15-16H,6-7,10-14H2
InChIKeyYFFZJUDOLSVXLX-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.71
Rot. Bonds5

About 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 126804241) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID126804241
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(C(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)C1CC1
InChIInChI=1S/C18H22N2O3S/c1-2-12-20(16-10-11-16)18(21)15-7-6-13-19(14-15)24(22,23)17-8-4-3-5-9-17/h1,3-5,8-9,15-16H,6-7,10-14H2
InChIKeyYFFZJUDOLSVXLX-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
[1-(benzenesulfonyl)piperidin-3-yl]-(4-prop-2-ynoxypiperidin-1-yl)methanone
CID 136524854
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 69368579
tert-butyl 2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetate
CID 52525411
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-1-phenylthiourea
CID 22303299
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 42933337
(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 25496863
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide (CID 126804241) is 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide is C#CCN(C(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)C1CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is YFFZJUDOLSVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-12-20(16-10-11-16)18(21)15-7-6-13-19(14-15)24(22,23)17-8-4-3-5-9-17/h1,3-5,8-9,15-16H,6-7,10-14H2.
What are the key properties of 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 126804241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).