2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol

C11H17NOS — CID 64819222

IUPAC2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
SMILESCc1cccc(SCCC(N)CO)c1
InChIInChI=1S/C11H17NOS/c1-9-3-2-4-11(7-9)14-6-5-10(12)8-13/h2-4,7,10,13H,5-6,8,12H2,1H3
InChIKeyJCDSNTQIGXAUIO-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol

2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol (PubChem CID 64819222) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
PubChem CID64819222
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
SMILESCc1cccc(SCCC(N)CO)c1
InChIInChI=1S/C11H17NOS/c1-9-3-2-4-11(7-9)14-6-5-10(12)8-13/h2-4,7,10,13H,5-6,8,12H2,1H3
InChIKeyJCDSNTQIGXAUIO-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
1-(3,3-dimethoxypropylsulfanyl)-3-methylbenzene
CID 165440790
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
1-(3,3-diethoxypropylsulfanyl)-3-methylbenzene
CID 63629155
2-[2-(3-methylphenyl)sulfanylethoxy]ethanol
CID 61244346
3-(3-methylphenyl)sulfanylpropanimidamide
CID 61243250
2-(methylamino)-4-(3-methylphenyl)sulfanylbutanoic acid
CID 63033091
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
CID 70048695
3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol?
The IUPAC name of 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol (CID 64819222) is 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol?
The canonical SMILES for 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol is Cc1cccc(SCCC(N)CO)c1.
What is the InChIKey of 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol?
The InChIKey is JCDSNTQIGXAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-3-2-4-11(7-9)14-6-5-10(12)8-13/h2-4,7,10,13H,5-6,8,12H2,1H3.
What are the key properties of 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol?
2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 64819222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).