3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide

C13H20N2O2S — CID 83271735

IUPAC3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1CN1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-11-9-13(18(14,16)17)6-5-12(11)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H2,14,16,17)
InChIKeyDHCLPPGPSAVLBF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.63
Rot. Bonds3

About 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide

3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide (PubChem CID 83271735) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
PubChem CID83271735
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1CN1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-11-9-13(18(14,16)17)6-5-12(11)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H2,14,16,17)
InChIKeyDHCLPPGPSAVLBF-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide (CID 83271735) is 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1CN1CCCCC1.
What is the InChIKey of 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The InChIKey is DHCLPPGPSAVLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-9-13(18(14,16)17)6-5-12(11)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H2,14,16,17).
What are the key properties of 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 83271735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).