2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide

C14H28N2OS2 — CID 63958911

IUPAC2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCC(C)CSC)C(N)=S
InChIInChI=1S/C14H28N2OS2/c1-5-7-14(8-6-2,12(15)18)13(17)16-9-11(3)10-19-4/h11H,5-10H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyHNCSDCJYSCTGHS-UHFFFAOYSA-N
MW304.53 g/mol
LogP2.97
Rot. Bonds10

About 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide

2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide (PubChem CID 63958911) has the molecular formula C14H28N2OS2 and a molecular weight of 304.53 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide
PubChem CID63958911
Molecular FormulaC14H28N2OS2
Molecular Weight304.53 g/mol
Exact Mass304.16
IUPAC Name2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCC(C)CSC)C(N)=S
InChIInChI=1S/C14H28N2OS2/c1-5-7-14(8-6-2,12(15)18)13(17)16-9-11(3)10-19-4/h11H,5-10H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyHNCSDCJYSCTGHS-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide?
The IUPAC name of 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide (CID 63958911) is 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide is CCCC(CCC)(C(=O)NCC(C)CSC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide?
The InChIKey is HNCSDCJYSCTGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS2/c1-5-7-14(8-6-2,12(15)18)13(17)16-9-11(3)10-19-4/h11H,5-10H2,1-4H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide?
2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide has a molecular weight of 304.53 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)-2-propylpentanamide is sourced from PubChem (CID 63958911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).