N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide

C15H24N2O2S — CID 63299793

IUPACN-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O2S/c1-5-17(14-6-7-16-10-14)20(18,19)15-12(3)8-11(2)9-13(15)4/h8-9,14,16H,5-7,10H2,1-4H3
InChIKeyAGMLUIWJXLHRSF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide

N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63299793) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63299793
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O2S/c1-5-17(14-6-7-16-10-14)20(18,19)15-12(3)8-11(2)9-13(15)4/h8-9,14,16H,5-7,10H2,1-4H3
InChIKeyAGMLUIWJXLHRSF-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 60805252
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299791
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide
CID 167753269
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 63299353

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63299793) is N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCN(C1CCNC1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is AGMLUIWJXLHRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-17(14-6-7-16-10-14)20(18,19)15-12(3)8-11(2)9-13(15)4/h8-9,14,16H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63299793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).