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

C11H20N2O2S — CID 82728259

IUPAC2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide
SMILESCCCC(C(=O)NC1CCOC1C)C(N)=S
InChIInChI=1S/C11H20N2O2S/c1-3-4-8(10(12)16)11(14)13-9-5-6-15-7(9)2/h7-9H,3-6H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyCVGYRLKYOPQFMH-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.98
Rot. Bonds5

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

2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide (PubChem CID 82728259) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide
PubChem CID82728259
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide
SMILESCCCC(C(=O)NC1CCOC1C)C(N)=S
InChIInChI=1S/C11H20N2O2S/c1-3-4-8(10(12)16)11(14)13-9-5-6-15-7(9)2/h7-9H,3-6H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyCVGYRLKYOPQFMH-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methyloxolan-3-yl)butanediamide
CID 82729118
2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide
CID 79363056
N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033634
2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106189156
2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
CID 114929264
2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide
CID 55259804
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
N-(2-methyloxolan-3-yl)decanamide
CID 146252174
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclopropane-1-carboxamide
CID 82725766
2-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82728576
2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
CID 82727899

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide (CID 82728259) is 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide is CCCC(C(=O)NC1CCOC1C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide?
The InChIKey is CVGYRLKYOPQFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-4-8(10(12)16)11(14)13-9-5-6-15-7(9)2/h7-9H,3-6H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide?
2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide has a molecular weight of 244.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide is sourced from PubChem (CID 82728259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).