1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide

C19H31N3O3S — CID 47909167

IUPAC1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c(C)n1C1CCCCC1
InChIInChI=1S/C19H31N3O3S/c1-14-12-18(15(2)22(14)17-9-5-4-6-10-17)19(23)20-16-8-7-11-21(13-16)26(3,24)25/h12,16-17H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyBNMUPWDOYLYYJV-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.76
Rot. Bonds4

About 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide

1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide (PubChem CID 47909167) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
PubChem CID47909167
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c(C)n1C1CCCCC1
InChIInChI=1S/C19H31N3O3S/c1-14-12-18(15(2)22(14)17-9-5-4-6-10-17)19(23)20-16-8-7-11-21(13-16)26(3,24)25/h12,16-17H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyBNMUPWDOYLYYJV-UHFFFAOYSA-N
XLogP2.76
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119425757
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119456498
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56569542
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 49081677
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 71935809
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809950
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
CID 146086459

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide (CID 47909167) is 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide?
The InChIKey is BNMUPWDOYLYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-14-12-18(15(2)22(14)17-9-5-4-6-10-17)19(23)20-16-8-7-11-21(13-16)26(3,24)25/h12,16-17H,4-11,13H2,1-3H3,(H,20,23).
What are the key properties of 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide?
1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 47909167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).