N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide

C15H24N2O2S — CID 60914377

IUPACN,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CCC2CCNCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-13-4-3-5-15(12-13)20(18,19)17(2)11-8-14-6-9-16-10-7-14/h3-5,12,14,16H,6-11H2,1-2H3
InChIKeyVFTSVDKKIBKHAG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.01
Rot. Bonds5

About N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide

N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide (PubChem CID 60914377) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide
PubChem CID60914377
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CCC2CCNCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-13-4-3-5-15(12-13)20(18,19)17(2)11-8-14-6-9-16-10-7-14/h3-5,12,14,16H,6-11H2,1-2H3
InChIKeyVFTSVDKKIBKHAG-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 62366566
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79701884
3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265596
4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide
CID 70645897
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide (CID 60914377) is N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)CCC2CCNCC2)c1.
What is the InChIKey of N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide?
The InChIKey is VFTSVDKKIBKHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-4-3-5-15(12-13)20(18,19)17(2)11-8-14-6-9-16-10-7-14/h3-5,12,14,16H,6-11H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide?
N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60914377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).