2-carbamothioyl-N-cyclobutylpentanamide

C10H18N2OS — CID 62414396

IUPAC2-carbamothioyl-N-cyclobutylpentanamide
SMILESCCCC(C(=O)NC1CCC1)C(N)=S
InChIInChI=1S/C10H18N2OS/c1-2-4-8(9(11)14)10(13)12-7-5-3-6-7/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDCSLZNLOHWSMCP-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.36
Rot. Bonds5

About 2-carbamothioyl-N-cyclobutylpentanamide

2-carbamothioyl-N-cyclobutylpentanamide (PubChem CID 62414396) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-carbamothioyl-N-cyclobutylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-cyclobutylpentanamide
PubChem CID62414396
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-carbamothioyl-N-cyclobutylpentanamide
SMILESCCCC(C(=O)NC1CCC1)C(N)=S
InChIInChI=1S/C10H18N2OS/c1-2-4-8(9(11)14)10(13)12-7-5-3-6-7/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDCSLZNLOHWSMCP-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.36
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 2-carbamothioyl-N-cyclobutylpentanamide?
The IUPAC name of 2-carbamothioyl-N-cyclobutylpentanamide (CID 62414396) is 2-carbamothioyl-N-cyclobutylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-cyclobutylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-cyclobutylpentanamide is CCCC(C(=O)NC1CCC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-cyclobutylpentanamide?
The InChIKey is DCSLZNLOHWSMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-4-8(9(11)14)10(13)12-7-5-3-6-7/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-carbamothioyl-N-cyclobutylpentanamide?
2-carbamothioyl-N-cyclobutylpentanamide has a molecular weight of 214.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-cyclobutylpentanamide is sourced from PubChem (CID 62414396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).