1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide

C19H24N2O3S2 — CID 45169614

IUPAC1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=C(Cc1ccsc1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H24N2O3S2/c22-19(11-17-8-10-25-14-17)21-9-4-7-18(13-21)12-20-26(23,24)15-16-5-2-1-3-6-16/h1-3,5-6,8,10,14,18,20H,4,7,9,11-13,15H2
InChIKeyLAZFWUHJTREWGJ-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.65
Rot. Bonds7

About 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide

1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 45169614) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID45169614
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=C(Cc1ccsc1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H24N2O3S2/c22-19(11-17-8-10-25-14-17)21-9-4-7-18(13-21)12-20-26(23,24)15-16-5-2-1-3-6-16/h1-3,5-6,8,10,14,18,20H,4,7,9,11-13,15H2
InChIKeyLAZFWUHJTREWGJ-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide (CID 45169614) is 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide is O=C(Cc1ccsc1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is LAZFWUHJTREWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c22-19(11-17-8-10-25-14-17)21-9-4-7-18(13-21)12-20-26(23,24)15-16-5-2-1-3-6-16/h1-3,5-6,8,10,14,18,20H,4,7,9,11-13,15H2.
What are the key properties of 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 392.55 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 45169614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).