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

C11H22N2OS2 — CID 63958267

IUPAC2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
SMILESCCCC(C(=O)NCC(C)CSC)C(N)=S
InChIInChI=1S/C11H22N2OS2/c1-4-5-9(10(12)15)11(14)13-6-8(2)7-16-3/h8-9H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyJGRCADOMVRMGPO-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.80
Rot. Bonds8

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

2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide (PubChem CID 63958267) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
PubChem CID63958267
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC Name2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
SMILESCCCC(C(=O)NCC(C)CSC)C(N)=S
InChIInChI=1S/C11H22N2OS2/c1-4-5-9(10(12)15)11(14)13-6-8(2)7-16-3/h8-9H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyJGRCADOMVRMGPO-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.80
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)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide (CID 63958267) is 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide is CCCC(C(=O)NCC(C)CSC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide?
The InChIKey is JGRCADOMVRMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-4-5-9(10(12)15)11(14)13-6-8(2)7-16-3/h8-9H,4-7H2,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of 2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide?
2-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)pentanamide has a molecular weight of 262.44 g/mol, XLogP of 1.80, 8 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)pentanamide is sourced from PubChem (CID 63958267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).