4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol

C11H17NOS — CID 79356210

IUPAC4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCSc1ccccc1N
InChIInChI=1S/C11H17NOS/c1-11(2,13)7-8-14-10-6-4-3-5-9(10)12/h3-6,13H,7-8,12H2,1-2H3
InChIKeyMVJKNVOLRHIHPI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.52
Rot. Bonds4

About 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol

4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol (PubChem CID 79356210) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol
PubChem CID79356210
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCSc1ccccc1N
InChIInChI=1S/C11H17NOS/c1-11(2,13)7-8-14-10-6-4-3-5-9(10)12/h3-6,13H,7-8,12H2,1-2H3
InChIKeyMVJKNVOLRHIHPI-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol (CID 79356210) is 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol is CC(C)(O)CCSc1ccccc1N.
What is the InChIKey of 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is MVJKNVOLRHIHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,13)7-8-14-10-6-4-3-5-9(10)12/h3-6,13H,7-8,12H2,1-2H3.
What are the key properties of 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol?
4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol has a molecular weight of 211.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 79356210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).