3-methyl-4-(thietan-3-ylamino)butan-1-ol

C8H17NOS — CID 135393311

IUPAC3-methyl-4-(thietan-3-ylamino)butan-1-ol
SMILESCC(CCO)CNC1CSC1
InChIInChI=1S/C8H17NOS/c1-7(2-3-10)4-9-8-5-11-6-8/h7-10H,2-6H2,1H3
InChIKeyJHBGMNDXOOMKAJ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.71
Rot. Bonds5

About 3-methyl-4-(thietan-3-ylamino)butan-1-ol

3-methyl-4-(thietan-3-ylamino)butan-1-ol (PubChem CID 135393311) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-methyl-4-(thietan-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(thietan-3-ylamino)butan-1-ol
PubChem CID135393311
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-methyl-4-(thietan-3-ylamino)butan-1-ol
SMILESCC(CCO)CNC1CSC1
InChIInChI=1S/C8H17NOS/c1-7(2-3-10)4-9-8-5-11-6-8/h7-10H,2-6H2,1H3
InChIKeyJHBGMNDXOOMKAJ-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(thietan-3-ylamino)butan-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 3-methyl-4-(thietan-3-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(thietan-3-ylamino)butan-1-ol (CID 135393311) is 3-methyl-4-(thietan-3-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(thietan-3-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(thietan-3-ylamino)butan-1-ol is CC(CCO)CNC1CSC1.
What is the InChIKey of 3-methyl-4-(thietan-3-ylamino)butan-1-ol?
The InChIKey is JHBGMNDXOOMKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2-3-10)4-9-8-5-11-6-8/h7-10H,2-6H2,1H3.
What are the key properties of 3-methyl-4-(thietan-3-ylamino)butan-1-ol?
3-methyl-4-(thietan-3-ylamino)butan-1-ol has a molecular weight of 175.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(thietan-3-ylamino)butan-1-ol is sourced from PubChem (CID 135393311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).