[(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol

C7H15NOS — CID 89241776

IUPAC[(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol
SMILESNCCC1CC[C@@H](CO)S1
InChIInChI=1S/C7H15NOS/c8-4-3-6-1-2-7(5-9)10-6/h6-7,9H,1-5,8H2/t6?,7-/m0/s1
InChIKeyDQWYEKRXTFDXTD-MLWJPKLSSA-N
MW161.27 g/mol
LogP0.59
Rot. Bonds3

About [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol

[(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol (PubChem CID 89241776) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol
PubChem CID89241776
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name[(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol
SMILESNCCC1CC[C@@H](CO)S1
InChIInChI=1S/C7H15NOS/c8-4-3-6-1-2-7(5-9)10-6/h6-7,9H,1-5,8H2/t6?,7-/m0/s1
InChIKeyDQWYEKRXTFDXTD-MLWJPKLSSA-N
XLogP0.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol 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 [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol?
The IUPAC name of [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol (CID 89241776) is [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol.
What is the SMILES notation for [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol?
The canonical SMILES for [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol is NCCC1CC[C@@H](CO)S1.
What is the InChIKey of [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol?
The InChIKey is DQWYEKRXTFDXTD-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15NOS/c8-4-3-6-1-2-7(5-9)10-6/h6-7,9H,1-5,8H2/t6?,7-/m0/s1.
What are the key properties of [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol?
[(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol has a molecular weight of 161.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-(2-aminoethyl)thiolan-2-yl]methanol is sourced from PubChem (CID 89241776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).