5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide

C15H22N2O3S — CID 46406612

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1C(N)=O
InChIInChI=1S/C15H22N2O3S/c1-10-6-11(2)9-17(8-10)21(19,20)13-5-4-12(3)14(7-13)15(16)18/h4-5,7,10-11H,6,8-9H2,1-3H3,(H2,16,18)
InChIKeyYJVOZWKDHOJZSO-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds3

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide (PubChem CID 46406612) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
PubChem CID46406612
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1C(N)=O
InChIInChI=1S/C15H22N2O3S/c1-10-6-11(2)9-17(8-10)21(19,20)13-5-4-12(3)14(7-13)15(16)18/h4-5,7,10-11H,6,8-9H2,1-3H3,(H2,16,18)
InChIKeyYJVOZWKDHOJZSO-UHFFFAOYSA-N
XLogP1.76
TPSA80.47 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079490
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
CID 120582136
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 131963351
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 1216990
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 102786347
1-(3,4-dimethylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105508
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide
CID 58356212
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide (CID 46406612) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide is Cc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1C(N)=O.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide?
The InChIKey is YJVOZWKDHOJZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-6-11(2)9-17(8-10)21(19,20)13-5-4-12(3)14(7-13)15(16)18/h4-5,7,10-11H,6,8-9H2,1-3H3,(H2,16,18).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide is sourced from PubChem (CID 46406612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).