2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide

C15H23N3O3S — CID 119459953

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCNC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-18(22(20,21)14-7-3-2-4-8-14)12-15(19)17-11-13-6-5-9-16-10-13/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyIBPZXFULHRFODC-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.42
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119459953) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119459953
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCNC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-18(22(20,21)14-7-3-2-4-8-14)12-15(19)17-11-13-6-5-9-16-10-13/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyIBPZXFULHRFODC-UHFFFAOYSA-N
XLogP0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 97256959
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462288
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 100712934
3-(dimethylsulfamoyl)-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119461586

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide (CID 119459953) is 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide is CN(CC(=O)NCC1CCCNC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is IBPZXFULHRFODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-18(22(20,21)14-7-3-2-4-8-14)12-15(19)17-11-13-6-5-9-16-10-13/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,17,19).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119459953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).