2-amino-1-(thiolan-3-yl)ethanol

C6H13NOS — CID 82417685

IUPAC2-amino-1-(thiolan-3-yl)ethanol
SMILESNCC(O)C1CCSC1
InChIInChI=1S/C6H13NOS/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4,7H2
InChIKeyVJSCOPJODFVNEF-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.06
Rot. Bonds2

About 2-amino-1-(thiolan-3-yl)ethanol

2-amino-1-(thiolan-3-yl)ethanol (PubChem CID 82417685) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-amino-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(thiolan-3-yl)ethanol
PubChem CID82417685
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-amino-1-(thiolan-3-yl)ethanol
SMILESNCC(O)C1CCSC1
InChIInChI=1S/C6H13NOS/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4,7H2
InChIKeyVJSCOPJODFVNEF-UHFFFAOYSA-N
XLogP0.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-amino-1-(thiolan-3-yl)ethanol (CID 82417685) is 2-amino-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(thiolan-3-yl)ethanol is NCC(O)C1CCSC1.
What is the InChIKey of 2-amino-1-(thiolan-3-yl)ethanol?
The InChIKey is VJSCOPJODFVNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4,7H2.
What are the key properties of 2-amino-1-(thiolan-3-yl)ethanol?
2-amino-1-(thiolan-3-yl)ethanol has a molecular weight of 147.24 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 82417685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).