4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid

C12H18N2O4S — CID 43294377

IUPAC4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc[nH]c2)(C(=O)O)CC1
InChIInChI=1S/C12H18N2O4S/c1-9-2-5-12(6-3-9,11(15)16)14-19(17,18)10-4-7-13-8-10/h4,7-9,13-14H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyUJSFGIRBBSJYDI-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.33
Rot. Bonds4

About 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid

4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 43294377) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID43294377
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc[nH]c2)(C(=O)O)CC1
InChIInChI=1S/C12H18N2O4S/c1-9-2-5-12(6-3-9,11(15)16)14-19(17,18)10-4-7-13-8-10/h4,7-9,13-14H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyUJSFGIRBBSJYDI-UHFFFAOYSA-N
XLogP1.33
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61454521
1-(benzenesulfonamido)-4-methylcyclohexane-1-carbothioamide
CID 61124071
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide
CID 62519994
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
1-(cyclopropylmethylsulfonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 64987307
2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 62695399
1-[(3-fluorophenyl)sulfonylamino]-4-methylcyclohexane-1-carbothioamide
CID 61122276
4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63855858
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
3-hydroxy-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294291

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid (CID 43294377) is 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid is CC1CCC(NS(=O)(=O)c2cc[nH]c2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is UJSFGIRBBSJYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-2-5-12(6-3-9,11(15)16)14-19(17,18)10-4-7-13-8-10/h4,7-9,13-14H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid?
4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrrol-3-ylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43294377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).