4-benzylsulfinyl-3-(methylamino)butan-1-ol

C12H19NO2S — CID 64898646

IUPAC4-benzylsulfinyl-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CS(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-13-12(7-8-14)10-16(15)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKeySGWOBOHTRAOJIY-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.91
Rot. Bonds7

About 4-benzylsulfinyl-3-(methylamino)butan-1-ol

4-benzylsulfinyl-3-(methylamino)butan-1-ol (PubChem CID 64898646) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-benzylsulfinyl-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-benzylsulfinyl-3-(methylamino)butan-1-ol
PubChem CID64898646
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-benzylsulfinyl-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CS(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-13-12(7-8-14)10-16(15)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKeySGWOBOHTRAOJIY-UHFFFAOYSA-N
XLogP0.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzylsulfinyl-3-(methylamino)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-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol
CID 64898224
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
CID 64900182
1-benzylsulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508742
N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659977
4-benzylsulfinyl-3-(2-methylhydrazinyl)butan-2-one;ethane
CID 142228119
2-acetamido-3-benzylsulfinylpropanoic acid
CID 64583710
1-benzylsulfinyl-3-(ethylamino)propan-2-ol
CID 115476936
4-anilino-3-(methylamino)butan-1-ol
CID 13023607
[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 142645077
3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
CID 64900376
methyl 3-benzylsulfinyl-2-phenylpropanoate
CID 64558852
(2R)-3-[(S)-benzylsulfinyl]-2-butylsulfanylpropan-1-ol
CID 95989453

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfinyl-3-(methylamino)butan-1-ol?
The IUPAC name of 4-benzylsulfinyl-3-(methylamino)butan-1-ol (CID 64898646) is 4-benzylsulfinyl-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-benzylsulfinyl-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-benzylsulfinyl-3-(methylamino)butan-1-ol is CNC(CCO)CS(=O)Cc1ccccc1.
What is the InChIKey of 4-benzylsulfinyl-3-(methylamino)butan-1-ol?
The InChIKey is SGWOBOHTRAOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-13-12(7-8-14)10-16(15)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3.
What are the key properties of 4-benzylsulfinyl-3-(methylamino)butan-1-ol?
4-benzylsulfinyl-3-(methylamino)butan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfinyl-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64898646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).