2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide

C14H28N2OS — CID 63839034

IUPAC2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide
SMILESCCC(CC)C(C)NC(=O)C(CC)(CC)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-6-11(7-2)10(5)16-13(17)14(8-3,9-4)12(15)18/h10-11H,6-9H2,1-5H3,(H2,15,18)(H,16,17)
InChIKeyLYESFWHTKHZSDQ-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.02
Rot. Bonds8

About 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide

2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide (PubChem CID 63839034) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide
PubChem CID63839034
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide
SMILESCCC(CC)C(C)NC(=O)C(CC)(CC)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-6-11(7-2)10(5)16-13(17)14(8-3,9-4)12(15)18/h10-11H,6-9H2,1-5H3,(H2,15,18)(H,16,17)
InChIKeyLYESFWHTKHZSDQ-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.02
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-2-ethyl-N-(3-ethylpentan-2-yl)butanamide?
The IUPAC name of 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide (CID 63839034) is 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide.
What is the SMILES notation for 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide?
The canonical SMILES for 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide is CCC(CC)C(C)NC(=O)C(CC)(CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide?
The InChIKey is LYESFWHTKHZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-6-11(7-2)10(5)16-13(17)14(8-3,9-4)12(15)18/h10-11H,6-9H2,1-5H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide?
2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide has a molecular weight of 272.46 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide is sourced from PubChem (CID 63839034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).