2-carbamothioyl-N-cyclobutyl-2-propylpentanamide

C13H24N2OS — CID 62414205

IUPAC2-carbamothioyl-N-cyclobutyl-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC1CCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-3-8-13(9-4-2,11(14)17)12(16)15-10-6-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyBXJLEABVCSEUEK-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.53
Rot. Bonds7

About 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide

2-carbamothioyl-N-cyclobutyl-2-propylpentanamide (PubChem CID 62414205) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-cyclobutyl-2-propylpentanamide
PubChem CID62414205
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-carbamothioyl-N-cyclobutyl-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC1CCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-3-8-13(9-4-2,11(14)17)12(16)15-10-6-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyBXJLEABVCSEUEK-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.53
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-cyclobutyl-2-propylpentanamide?
The IUPAC name of 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide (CID 62414205) is 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide is CCCC(CCC)(C(=O)NC1CCC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide?
The InChIKey is BXJLEABVCSEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-8-13(9-4-2,11(14)17)12(16)15-10-6-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide?
2-carbamothioyl-N-cyclobutyl-2-propylpentanamide has a molecular weight of 256.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-cyclobutyl-2-propylpentanamide is sourced from PubChem (CID 62414205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).