2-(tert-butylamino)-3-methylsulfanylpropan-1-ol

C8H19NOS — CID 59683285

IUPAC2-(tert-butylamino)-3-methylsulfanylpropan-1-ol
SMILESCSCC(CO)NC(C)(C)C
InChIInChI=1S/C8H19NOS/c1-8(2,3)9-7(5-10)6-11-4/h7,9-10H,5-6H2,1-4H3
InChIKeyMUADZNNKSDTNGS-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.10
Rot. Bonds4

About 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol

2-(tert-butylamino)-3-methylsulfanylpropan-1-ol (PubChem CID 59683285) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(tert-butylamino)-3-methylsulfanylpropan-1-ol
PubChem CID59683285
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-(tert-butylamino)-3-methylsulfanylpropan-1-ol
SMILESCSCC(CO)NC(C)(C)C
InChIInChI=1S/C8H19NOS/c1-8(2,3)9-7(5-10)6-11-4/h7,9-10H,5-6H2,1-4H3
InChIKeyMUADZNNKSDTNGS-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-3-methylsulfanylpropan-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-(tert-butylamino)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol (CID 59683285) is 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol is CSCC(CO)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol?
The InChIKey is MUADZNNKSDTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(2,3)9-7(5-10)6-11-4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol?
2-(tert-butylamino)-3-methylsulfanylpropan-1-ol has a molecular weight of 177.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 59683285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).