3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol

C11H25NO2S — CID 107760145

IUPAC3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol
SMILESCCNC(CCO)CS(=O)CC(C)CC
InChIInChI=1S/C11H25NO2S/c1-4-10(3)8-15(14)9-11(6-7-13)12-5-2/h10-13H,4-9H2,1-3H3
InChIKeyWGYIGWXRULYNFJ-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.14
Rot. Bonds9

About 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol

3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol (PubChem CID 107760145) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol
PubChem CID107760145
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol
SMILESCCNC(CCO)CS(=O)CC(C)CC
InChIInChI=1S/C11H25NO2S/c1-4-10(3)8-15(14)9-11(6-7-13)12-5-2/h10-13H,4-9H2,1-3H3
InChIKeyWGYIGWXRULYNFJ-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol 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

3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol
CID 64898019
N-(1-hydroxypentan-3-yl)methanesulfinamide
CID 127006197
3-methyl-1-(2-methylbutylsulfinyl)butan-2-amine
CID 107759916
1-butylsulfinyl-N-ethylbutan-2-amine
CID 64651265
3-(ethylamino)butan-1-ol
CID 12636119
2-acetamido-3-(2-methylbutylsulfinyl)propanoic acid
CID 107753296
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107759940
1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
CID 107766128
N-ethyl-1-(3-methoxypropylsulfinyl)pentan-2-amine
CID 64660381
3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol
CID 64899898
3-(ethylamino)-5-methoxy-5-methylhexan-1-ol
CID 106676516

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol (CID 107760145) is 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol is CCNC(CCO)CS(=O)CC(C)CC.
What is the InChIKey of 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol?
The InChIKey is WGYIGWXRULYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-10(3)8-15(14)9-11(6-7-13)12-5-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol?
3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol has a molecular weight of 235.39 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(2-methylbutylsulfinyl)butan-1-ol is sourced from PubChem (CID 107760145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).