4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C14H22N2O2S — CID 60895182

IUPAC4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16-10-8-13-3-2-9-15-11-13/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyFWMHVMGUBDWQAG-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.66
Rot. Bonds5

About 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 60895182) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID60895182
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16-10-8-13-3-2-9-15-11-13/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyFWMHVMGUBDWQAG-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
3-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 60895182) is 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC2CCCNC2)cc1.
What is the InChIKey of 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is FWMHVMGUBDWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16-10-8-13-3-2-9-15-11-13/h4-7,13,15-16H,2-3,8-11H2,1H3.
What are the key properties of 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60895182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).