2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide

C17H28N2O2S — CID 16887553

IUPAC2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-15(2)19-11-8-17(9-12-19)14-18-22(20,21)13-10-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyNVJGNOZZXPKNHT-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.27
Rot. Bonds7

About 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide

2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide (PubChem CID 16887553) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide
PubChem CID16887553
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-15(2)19-11-8-17(9-12-19)14-18-22(20,21)13-10-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyNVJGNOZZXPKNHT-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide (CID 16887553) is 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide is CC(C)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
The InChIKey is NVJGNOZZXPKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-15(2)19-11-8-17(9-12-19)14-18-22(20,21)13-10-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3.
What are the key properties of 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide?
2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 16887553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).