2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol

C10H23NOS — CID 79356294

IUPAC2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
SMILESCSCC(C)CNCCC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-9(8-13-4)7-11-6-5-10(2,3)12/h9,11-12H,5-8H2,1-4H3
InChIKeyGXQSZYALAYMMHA-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.74
Rot. Bonds7

About 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol

2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol (PubChem CID 79356294) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
PubChem CID79356294
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
SMILESCSCC(C)CNCCC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-9(8-13-4)7-11-6-5-10(2,3)12/h9,11-12H,5-8H2,1-4H3
InChIKeyGXQSZYALAYMMHA-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol 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-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol (CID 79356294) is 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol is CSCC(C)CNCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
The InChIKey is GXQSZYALAYMMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(8-13-4)7-11-6-5-10(2,3)12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol is sourced from PubChem (CID 79356294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).