3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol

C11H17NOS — CID 115551305

IUPAC3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cccc(N)c1SCC(C)CO
InChIInChI=1S/C11H17NOS/c1-8(6-13)7-14-11-9(2)4-3-5-10(11)12/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyYYVTVXGNQXXCAT-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.30
Rot. Bonds4

About 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol

3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 115551305) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID115551305
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cccc(N)c1SCC(C)CO
InChIInChI=1S/C11H17NOS/c1-8(6-13)7-14-11-9(2)4-3-5-10(11)12/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyYYVTVXGNQXXCAT-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 66103746
2-butylsulfanyl-3-methylaniline
CID 115551262
3-amino-2-(2-methylbutylsulfanyl)benzamide
CID 107753004
3-methyl-2-(2-methylsulfonylethylsulfanyl)aniline
CID 115551296
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
3-(2-amino-6-chlorophenyl)sulfanylpropane-1,2-diol
CID 79681822
2-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzoic acid
CID 104501169
3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66279373
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol
CID 122222813
3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide
CID 66105071
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol (CID 115551305) is 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol is Cc1cccc(N)c1SCC(C)CO.
What is the InChIKey of 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is YYVTVXGNQXXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(6-13)7-14-11-9(2)4-3-5-10(11)12/h3-5,8,13H,6-7,12H2,1-2H3.
What are the key properties of 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol?
3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 115551305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).