3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid

C12H16N2O4S — CID 55145962

IUPAC3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C12H16N2O4S/c15-12(16)9-3-1-4-10(7-9)14-19(17,18)11-5-2-6-13-8-11/h2,5-6,8-10,14H,1,3-4,7H2,(H,15,16)
InChIKeyTYSVXHSAXQFQIT-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.00
Rot. Bonds4

About 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid

3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 55145962) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID55145962
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C12H16N2O4S/c15-12(16)9-3-1-4-10(7-9)14-19(17,18)11-5-2-6-13-8-11/h2,5-6,8-10,14H,1,3-4,7H2,(H,15,16)
InChIKeyTYSVXHSAXQFQIT-UHFFFAOYSA-N
XLogP1.00
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
5-(pyridin-3-ylsulfonylamino)piperidine-3-carboxylic acid
CID 69069584
3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042579
3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63044386
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63043849
3-[(2,6-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042404
N-(2-aminocyclopentyl)pyridine-3-sulfonamide
CID 63252124
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid (CID 55145962) is 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NS(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is TYSVXHSAXQFQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-12(16)9-3-1-4-10(7-9)14-19(17,18)11-5-2-6-13-8-11/h2,5-6,8-10,14H,1,3-4,7H2,(H,15,16).
What are the key properties of 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55145962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).