2-[3-(1-aminopropyl)thian-3-yl]ethanol

C10H21NOS — CID 66089613

IUPAC2-[3-(1-aminopropyl)thian-3-yl]ethanol
SMILESCCC(N)C1(CCO)CCCSC1
InChIInChI=1S/C10H21NOS/c1-2-9(11)10(5-6-12)4-3-7-13-8-10/h9,12H,2-8,11H2,1H3
InChIKeyFFOTUIWVQJDKRH-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.62
Rot. Bonds4

About 2-[3-(1-aminopropyl)thian-3-yl]ethanol

2-[3-(1-aminopropyl)thian-3-yl]ethanol (PubChem CID 66089613) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[3-(1-aminopropyl)thian-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-aminopropyl)thian-3-yl]ethanol
PubChem CID66089613
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[3-(1-aminopropyl)thian-3-yl]ethanol
SMILESCCC(N)C1(CCO)CCCSC1
InChIInChI=1S/C10H21NOS/c1-2-9(11)10(5-6-12)4-3-7-13-8-10/h9,12H,2-8,11H2,1H3
InChIKeyFFOTUIWVQJDKRH-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(1-aminopropyl)thian-3-yl]ethanol 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-[3-(1-aminopropyl)thian-3-yl]ethanol?
The IUPAC name of 2-[3-(1-aminopropyl)thian-3-yl]ethanol (CID 66089613) is 2-[3-(1-aminopropyl)thian-3-yl]ethanol.
What is the SMILES notation for 2-[3-(1-aminopropyl)thian-3-yl]ethanol?
The canonical SMILES for 2-[3-(1-aminopropyl)thian-3-yl]ethanol is CCC(N)C1(CCO)CCCSC1.
What is the InChIKey of 2-[3-(1-aminopropyl)thian-3-yl]ethanol?
The InChIKey is FFOTUIWVQJDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-9(11)10(5-6-12)4-3-7-13-8-10/h9,12H,2-8,11H2,1H3.
What are the key properties of 2-[3-(1-aminopropyl)thian-3-yl]ethanol?
2-[3-(1-aminopropyl)thian-3-yl]ethanol has a molecular weight of 203.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropyl)thian-3-yl]ethanol is sourced from PubChem (CID 66089613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).