2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol

C9H21NOS — CID 66103224

IUPAC2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol
SMILESCNC(C)C(C)SCC(C)CO
InChIInChI=1S/C9H21NOS/c1-7(5-11)6-12-9(3)8(2)10-4/h7-11H,5-6H2,1-4H3
InChIKeyDEZGBJXQGOLAPL-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.34
Rot. Bonds6

About 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol

2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol (PubChem CID 66103224) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol
PubChem CID66103224
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol
SMILESCNC(C)C(C)SCC(C)CO
InChIInChI=1S/C9H21NOS/c1-7(5-11)6-12-9(3)8(2)10-4/h7-11H,5-6H2,1-4H3
InChIKeyDEZGBJXQGOLAPL-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-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-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol (CID 66103224) is 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol is CNC(C)C(C)SCC(C)CO.
What is the InChIKey of 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol?
The InChIKey is DEZGBJXQGOLAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-7(5-11)6-12-9(3)8(2)10-4/h7-11H,5-6H2,1-4H3.
What are the key properties of 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol?
2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol has a molecular weight of 191.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol is sourced from PubChem (CID 66103224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).