N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide

C15H24N2O2S — CID 60807373

IUPACN-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-4-17(14-6-5-9-16-11-14)20(18,19)15-8-7-12(2)13(3)10-15/h7-8,10,14,16H,4-6,9,11H2,1-3H3
InChIKeyAGRAIRWQRWKYAA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds4

About N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide

N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 60807373) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID60807373
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-4-17(14-6-5-9-16-11-14)20(18,19)15-8-7-12(2)13(3)10-15/h7-8,10,14,16H,4-6,9,11H2,1-3H3
InChIKeyAGRAIRWQRWKYAA-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide (CID 60807373) is N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide is CCN(C1CCCNC1)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is AGRAIRWQRWKYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(14-6-5-9-16-11-14)20(18,19)15-8-7-12(2)13(3)10-15/h7-8,10,14,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 60807373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).