3-amino-5-ethylthiolan-2-ol

C6H13NOS — CID 129299963

IUPAC3-amino-5-ethylthiolan-2-ol
SMILESCCC1CC(N)C(O)S1
InChIInChI=1S/C6H13NOS/c1-2-4-3-5(7)6(8)9-4/h4-6,8H,2-3,7H2,1H3
InChIKeyMCULFSIUIRPAOQ-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.55
Rot. Bonds1

About 3-amino-5-ethylthiolan-2-ol

3-amino-5-ethylthiolan-2-ol (PubChem CID 129299963) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-amino-5-ethylthiolan-2-ol.

Molecular Properties

Compound Name3-amino-5-ethylthiolan-2-ol
PubChem CID129299963
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-amino-5-ethylthiolan-2-ol
SMILESCCC1CC(N)C(O)S1
InChIInChI=1S/C6H13NOS/c1-2-4-3-5(7)6(8)9-4/h4-6,8H,2-3,7H2,1H3
InChIKeyMCULFSIUIRPAOQ-UHFFFAOYSA-N
XLogP0.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethylthiolan-2-ol?
The IUPAC name of 3-amino-5-ethylthiolan-2-ol (CID 129299963) is 3-amino-5-ethylthiolan-2-ol.
What is the SMILES notation for 3-amino-5-ethylthiolan-2-ol?
The canonical SMILES for 3-amino-5-ethylthiolan-2-ol is CCC1CC(N)C(O)S1.
What is the InChIKey of 3-amino-5-ethylthiolan-2-ol?
The InChIKey is MCULFSIUIRPAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-4-3-5(7)6(8)9-4/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 3-amino-5-ethylthiolan-2-ol?
3-amino-5-ethylthiolan-2-ol has a molecular weight of 147.24 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethylthiolan-2-ol is sourced from PubChem (CID 129299963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).