4-amino-2-propan-2-ylthiolan-3-ol

C7H15NOS — CID 82415376

IUPAC4-amino-2-propan-2-ylthiolan-3-ol
SMILESCC(C)C1SCC(N)C1O
InChIInChI=1S/C7H15NOS/c1-4(2)7-6(9)5(8)3-10-7/h4-7,9H,3,8H2,1-2H3
InChIKeyGFVUOYDTRVEMCM-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.45
Rot. Bonds1

About 4-amino-2-propan-2-ylthiolan-3-ol

4-amino-2-propan-2-ylthiolan-3-ol (PubChem CID 82415376) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 4-amino-2-propan-2-ylthiolan-3-ol.

Molecular Properties

Compound Name4-amino-2-propan-2-ylthiolan-3-ol
PubChem CID82415376
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name4-amino-2-propan-2-ylthiolan-3-ol
SMILESCC(C)C1SCC(N)C1O
InChIInChI=1S/C7H15NOS/c1-4(2)7-6(9)5(8)3-10-7/h4-7,9H,3,8H2,1-2H3
InChIKeyGFVUOYDTRVEMCM-UHFFFAOYSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-propan-2-ylthiolan-3-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 4-amino-2-propan-2-ylthiolan-3-ol?
The IUPAC name of 4-amino-2-propan-2-ylthiolan-3-ol (CID 82415376) is 4-amino-2-propan-2-ylthiolan-3-ol.
What is the SMILES notation for 4-amino-2-propan-2-ylthiolan-3-ol?
The canonical SMILES for 4-amino-2-propan-2-ylthiolan-3-ol is CC(C)C1SCC(N)C1O.
What is the InChIKey of 4-amino-2-propan-2-ylthiolan-3-ol?
The InChIKey is GFVUOYDTRVEMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-4(2)7-6(9)5(8)3-10-7/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-amino-2-propan-2-ylthiolan-3-ol?
4-amino-2-propan-2-ylthiolan-3-ol has a molecular weight of 161.27 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-propan-2-ylthiolan-3-ol is sourced from PubChem (CID 82415376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).