4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide

C15H26N2O2S2 — CID 103911044

IUPAC4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide
SMILESCCC(CC)(CNC(C)c1ccc(S(N)(=O)=O)cc1)SC
InChIInChI=1S/C15H26N2O2S2/c1-5-15(6-2,20-4)11-17-12(3)13-7-9-14(10-8-13)21(16,18)19/h7-10,12,17H,5-6,11H2,1-4H3,(H2,16,18,19)
InChIKeyPTIOEQSRHLJTNO-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.91
Rot. Bonds8

About 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide

4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide (PubChem CID 103911044) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide
PubChem CID103911044
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide
SMILESCCC(CC)(CNC(C)c1ccc(S(N)(=O)=O)cc1)SC
InChIInChI=1S/C15H26N2O2S2/c1-5-15(6-2,20-4)11-17-12(3)13-7-9-14(10-8-13)21(16,18)19/h7-10,12,17H,5-6,11H2,1-4H3,(H2,16,18,19)
InChIKeyPTIOEQSRHLJTNO-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide
CID 103910771
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
2-ethyl-2-methylsulfanyl-N-[1-(4-phenylmethoxyphenyl)ethyl]butan-1-amine
CID 114115524
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103787219
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide (CID 103911044) is 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide is CCC(CC)(CNC(C)c1ccc(S(N)(=O)=O)cc1)SC.
What is the InChIKey of 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide?
The InChIKey is PTIOEQSRHLJTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-15(6-2,20-4)11-17-12(3)13-7-9-14(10-8-13)21(16,18)19/h7-10,12,17H,5-6,11H2,1-4H3,(H2,16,18,19).
What are the key properties of 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide?
4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103911044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).