2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide

C13H24N2OS — CID 79363056

IUPAC2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide
SMILESCCCC(C(=O)NC1C(C)(C)C1(C)C)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-6-7-8(9(14)17)10(16)15-11-12(2,3)13(11,4)5/h8,11H,6-7H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyIGGPCUXLPCOCDN-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.24
Rot. Bonds5

About 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide

2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide (PubChem CID 79363056) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide
PubChem CID79363056
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide
SMILESCCCC(C(=O)NC1C(C)(C)C1(C)C)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-6-7-8(9(14)17)10(16)15-11-12(2,3)13(11,4)5/h8,11H,6-7H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyIGGPCUXLPCOCDN-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.24
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-(2,2,3,3-tetramethylcyclopropyl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide (CID 79363056) is 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide is CCCC(C(=O)NC1C(C)(C)C1(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide?
The InChIKey is IGGPCUXLPCOCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-7-8(9(14)17)10(16)15-11-12(2,3)13(11,4)5/h8,11H,6-7H2,1-5H3,(H2,14,17)(H,15,16).
What are the key properties of 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide?
2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide has a molecular weight of 256.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide is sourced from PubChem (CID 79363056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).