2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide

C15H22N2O3S — CID 47910133

IUPAC2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C15H22N2O3S/c1-11-6-4-8-14(12(11)2)15(18)16-13-7-5-9-17(10-13)21(3,19)20/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,16,18)
InChIKeyMWEOYTRPZQPEOM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.46
Rot. Bonds3

About 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide

2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide (PubChem CID 47910133) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
PubChem CID47910133
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C15H22N2O3S/c1-11-6-4-8-14(12(11)2)15(18)16-13-7-5-9-17(10-13)21(3,19)20/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,16,18)
InChIKeyMWEOYTRPZQPEOM-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
CID 146086459
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
1-[2-(2-methylphenyl)ethyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47743658
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
CID 47909167
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide (CID 47910133) is 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide is Cc1cccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The InChIKey is MWEOYTRPZQPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-6-4-8-14(12(11)2)15(18)16-13-7-5-9-17(10-13)21(3,19)20/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide is sourced from PubChem (CID 47910133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).