(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide

C13H22N2O3S — CID 96565229

IUPAC(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H22N2O3S/c16-13(12-10-6-2-3-7-11(10)12)14-19(17,18)15-8-4-1-5-9-15/h10-12H,1-9H2,(H,14,16)/t10-,11+,12?
InChIKeyZNMPQRCBAWYYCR-FOSCPWQOSA-N
MW286.40 g/mol
LogP1.27
Rot. Bonds3

About (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide

(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 96565229) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID96565229
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H22N2O3S/c16-13(12-10-6-2-3-7-11(10)12)14-19(17,18)15-8-4-1-5-9-15/h10-12H,1-9H2,(H,14,16)/t10-,11+,12?
InChIKeyZNMPQRCBAWYYCR-FOSCPWQOSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94451901
N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71937981
(3S)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599732
(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599731
N-piperidin-1-ylsulfonylacetamide
CID 59405916
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
CID 56798491
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea
CID 134115053
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
CID 94201534
1-cyclopropyl-N-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 84597196

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide (CID 96565229) is (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide is O=C(NS(=O)(=O)N1CCCCC1)C1[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is ZNMPQRCBAWYYCR-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H22N2O3S/c16-13(12-10-6-2-3-7-11(10)12)14-19(17,18)15-8-4-1-5-9-15/h10-12H,1-9H2,(H,14,16)/t10-,11+,12?.
What are the key properties of (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 96565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).