2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol

C10H15NOS — CID 130870954

IUPAC2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol
SMILESCC(C)[C@H](N)c1cccc(S)c1O
InChIInChI=1S/C10H15NOS/c1-6(2)9(11)7-4-3-5-8(13)10(7)12/h3-6,9,12-13H,11H2,1-2H3/t9-/m0/s1
InChIKeyDJLWSHKJASLQGF-VIFPVBQESA-N
MW197.30 g/mol
LogP2.34
Rot. Bonds2

About 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol

2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol (PubChem CID 130870954) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol
PubChem CID130870954
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol
SMILESCC(C)[C@H](N)c1cccc(S)c1O
InChIInChI=1S/C10H15NOS/c1-6(2)9(11)7-4-3-5-8(13)10(7)12/h3-6,9,12-13H,11H2,1-2H3/t9-/m0/s1
InChIKeyDJLWSHKJASLQGF-VIFPVBQESA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol (CID 130870954) is 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol is CC(C)[C@H](N)c1cccc(S)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol?
The InChIKey is DJLWSHKJASLQGF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NOS/c1-6(2)9(11)7-4-3-5-8(13)10(7)12/h3-6,9,12-13H,11H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol?
2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol has a molecular weight of 197.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol is sourced from PubChem (CID 130870954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).