2-cyclobutylethanethioamide

C6H11NS — CID 22140983

IUPAC2-cyclobutylethanethioamide
SMILESNC(=S)CC1CCC1
InChIInChI=1S/C6H11NS/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H2,7,8)
InChIKeyFQPWGVAELFEVMZ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.46
Rot. Bonds2

About 2-cyclobutylethanethioamide

2-cyclobutylethanethioamide (PubChem CID 22140983) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-cyclobutylethanethioamide.

Molecular Properties

Compound Name2-cyclobutylethanethioamide
PubChem CID22140983
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-cyclobutylethanethioamide
SMILESNC(=S)CC1CCC1
InChIInChI=1S/C6H11NS/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H2,7,8)
InChIKeyFQPWGVAELFEVMZ-UHFFFAOYSA-N
XLogP1.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-cyclobutylethanethioamide?
The IUPAC name of 2-cyclobutylethanethioamide (CID 22140983) is 2-cyclobutylethanethioamide.
What is the SMILES notation for 2-cyclobutylethanethioamide?
The canonical SMILES for 2-cyclobutylethanethioamide is NC(=S)CC1CCC1.
What is the InChIKey of 2-cyclobutylethanethioamide?
The InChIKey is FQPWGVAELFEVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H2,7,8).
What are the key properties of 2-cyclobutylethanethioamide?
2-cyclobutylethanethioamide has a molecular weight of 129.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethanethioamide is sourced from PubChem (CID 22140983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).