2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide

C15H26N2O2S2 — CID 79481705

IUPAC2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)CCSc1ccc(N)cc1
InChIInChI=1S/C15H26N2O2S2/c1-4-13(3)12-17(5-2)21(18,19)11-10-20-15-8-6-14(16)7-9-15/h6-9,13H,4-5,10-12,16H2,1-3H3
InChIKeyJCGMAZYYQXVKBN-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.06
Rot. Bonds9

About 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide

2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide (PubChem CID 79481705) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
PubChem CID79481705
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)CCSc1ccc(N)cc1
InChIInChI=1S/C15H26N2O2S2/c1-4-13(3)12-17(5-2)21(18,19)11-10-20-15-8-6-14(16)7-9-15/h6-9,13H,4-5,10-12,16H2,1-3H3
InChIKeyJCGMAZYYQXVKBN-UHFFFAOYSA-N
XLogP3.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethanesulfonamide
CID 115985246
4-(2-propan-2-ylsulfonylethylsulfanyl)aniline
CID 106725571
2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
CID 79481711
2-(4-aminophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]ethanesulfonamide
CID 107213650
N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
CID 79471044
2-(4-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 104827303
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylsulfonylethanesulfonamide
CID 55173886
N-ethyl-4-(methylamino)-N-(2-methylbutyl)butane-1-sulfonamide
CID 79469772
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79478104
2-(3-aminophenyl)sulfanyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethanesulfonamide
CID 115985256
N,N-diethyl-3-methylpentane-1-sulfonamide
CID 11356480

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide (CID 79481705) is 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide is CCC(C)CN(CC)S(=O)(=O)CCSc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
The InChIKey is JCGMAZYYQXVKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-13(3)12-17(5-2)21(18,19)11-10-20-15-8-6-14(16)7-9-15/h6-9,13H,4-5,10-12,16H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 79481705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).