N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide

C15H24N2O2S — CID 114955845

IUPACN-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
SMILESCC1CCNCC1CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-13-7-9-16-11-15(13)12-17-20(18,19)10-8-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3
InChIKeyOHHZNBDPZKNQFI-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.39
Rot. Bonds6

About N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide

N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide (PubChem CID 114955845) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
PubChem CID114955845
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
SMILESCC1CCNCC1CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-13-7-9-16-11-15(13)12-17-20(18,19)10-8-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3
InChIKeyOHHZNBDPZKNQFI-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylmethanesulfonyl-piperidine
CID 273955
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
1-(2-Phenylethenesulfonyl)piperazine
CID 5893769
1-Phenylmethanesulfonylpiperazine
CID 2512733
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
4-Benzyl-1-(2-phenylethylsulfonyl)piperidine
CID 71699220
N-benzyl-2-(octylamino)ethanesulfonamide
CID 45479985
N-benzyl-2-(butylamino)ethanesulfonamide
CID 45479989

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide (CID 114955845) is N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide is CC1CCNCC1CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide?
The InChIKey is OHHZNBDPZKNQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-7-9-16-11-15(13)12-17-20(18,19)10-8-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3.
What are the key properties of N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide?
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 114955845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).