2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide

C11H22N2O2S — CID 104761692

IUPAC2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
SMILESCCCC(C(=O)NCCOC(C)C)C(N)=S
InChIInChI=1S/C11H22N2O2S/c1-4-5-9(10(12)16)11(14)13-6-7-15-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyPLYZWLGSPRFOQL-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.23
Rot. Bonds8

About 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide

2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide (PubChem CID 104761692) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
PubChem CID104761692
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
SMILESCCCC(C(=O)NCCOC(C)C)C(N)=S
InChIInChI=1S/C11H22N2O2S/c1-4-5-9(10(12)16)11(14)13-6-7-15-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyPLYZWLGSPRFOQL-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761678
2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide
CID 55259925
2-carbamothioyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490493
2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
CID 62641517
2-propan-2-yloxyethylurea
CID 22179539
2-carbamothioyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide
CID 106428805
2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide
CID 114175472
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide
CID 55259804
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103007035

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide (CID 104761692) is 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide is CCCC(C(=O)NCCOC(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide?
The InChIKey is PLYZWLGSPRFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-4-5-9(10(12)16)11(14)13-6-7-15-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide?
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide has a molecular weight of 246.38 g/mol, XLogP of 1.23, 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-propan-2-yloxyethyl)pentanamide is sourced from PubChem (CID 104761692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).