2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide

C17H25N3O4S — CID 75474373

IUPAC2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H25N3O4S/c1-18(2)16(21)13-19(3)25(23,24)15-10-7-11-20(12-15)17(22)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyWMCHLFAQPCUSMS-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.64
Rot. Bonds5

About 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide

2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 75474373) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID75474373
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H25N3O4S/c1-18(2)16(21)13-19(3)25(23,24)15-10-7-11-20(12-15)17(22)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyWMCHLFAQPCUSMS-UHFFFAOYSA-N
XLogP0.64
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
CID 75474606
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
CID 75476075
3-(benzenesulfonyl)piperidine-1-carboxylic acid
CID 91356890
2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 119198387
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370
1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
CID 75474607
(2R,3R)-1-(1-benzoylazetidin-3-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105008
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 75474373) is 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is WMCHLFAQPCUSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-18(2)16(21)13-19(3)25(23,24)15-10-7-11-20(12-15)17(22)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3.
What are the key properties of 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 367.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 75474373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).