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

C19H24N2O3S2 — CID 45238313

IUPAC1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=C(Cc1cccs1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H24N2O3S2/c22-19(12-18-9-5-11-25-18)21-10-4-8-17(14-21)13-20-26(23,24)15-16-6-2-1-3-7-16/h1-3,5-7,9,11,17,20H,4,8,10,12-15H2
InChIKeyVVNPKHWHHXJING-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.65
Rot. Bonds7

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

1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 45238313) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID45238313
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=C(Cc1cccs1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H24N2O3S2/c22-19(12-18-9-5-11-25-18)21-10-4-8-17(14-21)13-20-26(23,24)15-16-6-2-1-3-7-16/h1-3,5-7,9,11,17,20H,4,8,10,12-15H2
InChIKeyVVNPKHWHHXJING-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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide (CID 45238313) is 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide is O=C(Cc1cccs1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is VVNPKHWHHXJING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c22-19(12-18-9-5-11-25-18)21-10-4-8-17(14-21)13-20-26(23,24)15-16-6-2-1-3-7-16/h1-3,5-7,9,11,17,20H,4,8,10,12-15H2.
What are the key properties of 1-phenyl-N-[[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide?
1-phenyl-N-[[1-(2-thiophen-2-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-2-ylacetyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 45238313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).