N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide

C13H20N2O2S — CID 54974058

IUPACN-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESCc1ccccc1NS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H20N2O2S/c1-11-4-2-3-5-13(11)15-18(16,17)10-12-6-8-14-9-7-12/h2-5,12,14-15H,6-10H2,1H3
InChIKeyMPGMUKWJDGPPLG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.74
Rot. Bonds4

About N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide

N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54974058) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID54974058
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESCc1ccccc1NS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H20N2O2S/c1-11-4-2-3-5-13(11)15-18(16,17)10-12-6-8-14-9-7-12/h2-5,12,14-15H,6-10H2,1H3
InChIKeyMPGMUKWJDGPPLG-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide (CID 54974058) is N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide is Cc1ccccc1NS(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is MPGMUKWJDGPPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-4-2-3-5-13(11)15-18(16,17)10-12-6-8-14-9-7-12/h2-5,12,14-15H,6-10H2,1H3.
What are the key properties of N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide?
N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54974058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).