2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide

C13H26N2OS — CID 55259804

IUPAC2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)C(CC)CC)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-5-8-11(12(14)17)13(16)15-9(4)10(6-2)7-3/h9-11H,5-8H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyYDJPARUUZMBPRD-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.63
Rot. Bonds8

About 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide

2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide (PubChem CID 55259804) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide
PubChem CID55259804
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)C(CC)CC)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-5-8-11(12(14)17)13(16)15-9(4)10(6-2)7-3/h9-11H,5-8H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyYDJPARUUZMBPRD-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692
2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide
CID 64688447
2-carbamothioyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490493
2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide
CID 79363056
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
CID 62641517
2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide
CID 63839034
2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82728259
3-(3-ethylpentan-2-ylamino)-2-methylpropanamide
CID 63839004
2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide
CID 114175472
2-carbamothioyl-N-pyrimidin-5-ylpentanamide
CID 107588767

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide (CID 55259804) is 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide is CCCC(C(=O)NC(C)C(CC)CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide?
The InChIKey is YDJPARUUZMBPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-8-11(12(14)17)13(16)15-9(4)10(6-2)7-3/h9-11H,5-8H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide?
2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide has a molecular weight of 258.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide is sourced from PubChem (CID 55259804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).