4-hydroxypentanethioamide

C5H11NOS — CID 57055107

IUPAC4-hydroxypentanethioamide
SMILESCC(O)CCC(N)=S
InChIInChI=1S/C5H11NOS/c1-4(7)2-3-5(6)8/h4,7H,2-3H2,1H3,(H2,6,8)
InChIKeyRSUFOFZWJAGGKH-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.43
Rot. Bonds3

About 4-hydroxypentanethioamide

4-hydroxypentanethioamide (PubChem CID 57055107) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 4-hydroxypentanethioamide.

Molecular Properties

Compound Name4-hydroxypentanethioamide
PubChem CID57055107
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name4-hydroxypentanethioamide
SMILESCC(O)CCC(N)=S
InChIInChI=1S/C5H11NOS/c1-4(7)2-3-5(6)8/h4,7H,2-3H2,1H3,(H2,6,8)
InChIKeyRSUFOFZWJAGGKH-UHFFFAOYSA-N
XLogP0.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypentanethioamide?
The IUPAC name of 4-hydroxypentanethioamide (CID 57055107) is 4-hydroxypentanethioamide.
What is the SMILES notation for 4-hydroxypentanethioamide?
The canonical SMILES for 4-hydroxypentanethioamide is CC(O)CCC(N)=S.
What is the InChIKey of 4-hydroxypentanethioamide?
The InChIKey is RSUFOFZWJAGGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4(7)2-3-5(6)8/h4,7H,2-3H2,1H3,(H2,6,8).
What are the key properties of 4-hydroxypentanethioamide?
4-hydroxypentanethioamide has a molecular weight of 133.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypentanethioamide is sourced from PubChem (CID 57055107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).