2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline

C13H21NO2S2 — CID 115929080

IUPAC2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline
SMILESCCSc1ccccc1NC(C)CS(=O)(=O)CC
InChIInChI=1S/C13H21NO2S2/c1-4-17-13-9-7-6-8-12(13)14-11(3)10-18(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyIFEAKEMDXSQZMQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.03
Rot. Bonds7

About 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline

2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline (PubChem CID 115929080) has the molecular formula C13H21NO2S2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline
PubChem CID115929080
Molecular FormulaC13H21NO2S2
Molecular Weight287.45 g/mol
Exact Mass287.10
IUPAC Name2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline
SMILESCCSc1ccccc1NC(C)CS(=O)(=O)CC
InChIInChI=1S/C13H21NO2S2/c1-4-17-13-9-7-6-8-12(13)14-11(3)10-18(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyIFEAKEMDXSQZMQ-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635
2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
CID 63453526
1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
CID 113494512
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 115922122
N-(dicyclopropylmethyl)-2-ethylsulfanylaniline
CID 54865167
5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107706134
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
CID 60935431
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
2-ethylsulfanyl-N-pentylaniline
CID 60935079
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline
CID 60935812
N-butan-2-yl-2-prop-2-enylsulfanylaniline
CID 60927744

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline?
The IUPAC name of 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline (CID 115929080) is 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline.
What is the SMILES notation for 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline?
The canonical SMILES for 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline is CCSc1ccccc1NC(C)CS(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline?
The InChIKey is IFEAKEMDXSQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S2/c1-4-17-13-9-7-6-8-12(13)14-11(3)10-18(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline?
2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline has a molecular weight of 287.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline is sourced from PubChem (CID 115929080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).