N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

C15H26N2O2S2 — CID 107329229

IUPACN-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-6-20-8-7-13(4)17-21(18,19)15-11(2)9-14(16-5)10-12(15)3/h9-10,13,16-17H,6-8H2,1-5H3
InChIKeyJFRXJIKWWBZGLT-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.16
Rot. Bonds8

About N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (PubChem CID 107329229) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
PubChem CID107329229
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-6-20-8-7-13(4)17-21(18,19)15-11(2)9-14(16-5)10-12(15)3/h9-10,13,16-17H,6-8H2,1-5H3
InChIKeyJFRXJIKWWBZGLT-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide
CID 107329190
N-(4-ethylsulfanylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084672
5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 115690382
3-amino-5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylbenzenesulfonamide
CID 114380322
4-bromo-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662743
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106084683
2,6-dimethyl-4-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107328797
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2,3-difluorobenzenesulfonamide
CID 106084642
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (CID 107329229) is N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is CCSCCC(C)NS(=O)(=O)c1c(C)cc(NC)cc1C.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is JFRXJIKWWBZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-6-20-8-7-13(4)17-21(18,19)15-11(2)9-14(16-5)10-12(15)3/h9-10,13,16-17H,6-8H2,1-5H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 107329229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).