2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide

C15H24N2O2S — CID 63009066

IUPAC2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCC(C)NC2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-4-5-12(2)15(8-11)20(18,19)17-10-14-7-6-13(3)16-9-14/h4-5,8,13-14,16-17H,6-7,9-10H2,1-3H3
InChIKeyFEGINFIINKLURF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.97
Rot. Bonds4

About 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide

2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide (PubChem CID 63009066) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
PubChem CID63009066
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCC(C)NC2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-4-5-12(2)15(8-11)20(18,19)17-10-14-7-6-13(3)16-9-14/h4-5,8,13-14,16-17H,6-7,9-10H2,1-3H3
InChIKeyFEGINFIINKLURF-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 63008897
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 70710488
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
N-[(6-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide
CID 64554725
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide (CID 63009066) is 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2CCC(C)NC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is FEGINFIINKLURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-4-5-12(2)15(8-11)20(18,19)17-10-14-7-6-13(3)16-9-14/h4-5,8,13-14,16-17H,6-7,9-10H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63009066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).