(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide

C17H18N2O3S — CID 96565285

IUPAC(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cccnc12)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C17H18N2O3S/c20-17(15-12-7-1-2-8-13(12)15)19-23(21,22)14-9-3-5-11-6-4-10-18-16(11)14/h3-6,9-10,12-13,15H,1-2,7-8H2,(H,19,20)/t12-,13+,15?
InChIKeyCXBFIGMFWYLZFL-NNQSOWQGSA-N
MW330.41 g/mol
LogP2.48
Rot. Bonds3

About (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide

(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 96565285) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID96565285
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cccnc12)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C17H18N2O3S/c20-17(15-12-7-1-2-8-13(12)15)19-23(21,22)14-9-3-5-11-6-4-10-18-16(11)14/h3-6,9-10,12-13,15H,1-2,7-8H2,(H,19,20)/t12-,13+,15?
InChIKeyCXBFIGMFWYLZFL-NNQSOWQGSA-N
XLogP2.48
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

N-cycloheptylquinoline-8-sulfonamide
CID 3244108
cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 7573617
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11522844
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
CID 167985202
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide (CID 96565285) is (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide is O=C(NS(=O)(=O)c1cccc2cccnc12)C1[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is CXBFIGMFWYLZFL-NNQSOWQGSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17(15-12-7-1-2-8-13(12)15)19-23(21,22)14-9-3-5-11-6-4-10-18-16(11)14/h3-6,9-10,12-13,15H,1-2,7-8H2,(H,19,20)/t12-,13+,15?.
What are the key properties of (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide?
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 96565285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).