N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C17H24N2O3S — CID 51158808

IUPACN-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1
InChIInChI=1S/C17H24N2O3S/c1-12-8-13(2)11-19(10-12)23(21,22)16-5-3-4-14(9-16)17(20)18-15-6-7-15/h3-5,9,12-13,15H,6-8,10-11H2,1-2H3,(H,18,20)
InChIKeyXEPSLLBCBBXVPF-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.25
Rot. Bonds4

About N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 51158808) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID51158808
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1
InChIInChI=1S/C17H24N2O3S/c1-12-8-13(2)11-19(10-12)23(21,22)16-5-3-4-14(9-16)17(20)18-15-6-7-15/h3-5,9,12-13,15H,6-8,10-11H2,1-2H3,(H,18,20)
InChIKeyXEPSLLBCBBXVPF-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
(3S,4S)-1-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122104117
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577985
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407954
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 51158808) is N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1.
What is the InChIKey of N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is XEPSLLBCBBXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-8-13(2)11-19(10-12)23(21,22)16-5-3-4-14(9-16)17(20)18-15-6-7-15/h3-5,9,12-13,15H,6-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 51158808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).