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

C18H24N2O2S2 — CID 47087743

IUPAC1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C18H24N2O2S2/c21-24(22,15-16-6-2-1-3-7-16)19-12-17-8-4-10-20(13-17)14-18-9-5-11-23-18/h1-3,5-7,9,11,17,19H,4,8,10,12-15H2
InChIKeyAFWFFAKCAVBMPH-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.08
Rot. Bonds7

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

1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 47087743) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID47087743
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C18H24N2O2S2/c21-24(22,15-16-6-2-1-3-7-16)19-12-17-8-4-10-20(13-17)14-18-9-5-11-23-18/h1-3,5-7,9,11,17,19H,4,8,10,12-15H2
InChIKeyAFWFFAKCAVBMPH-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.08
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-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide (CID 47087743) is 1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is AFWFFAKCAVBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c21-24(22,15-16-6-2-1-3-7-16)19-12-17-8-4-10-20(13-17)14-18-9-5-11-23-18/h1-3,5-7,9,11,17,19H,4,8,10,12-15H2.
What are the key properties of 1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide?
1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 364.54 g/mol, XLogP of 3.08, 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-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47087743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).