2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide

C10H18N2O2S — CID 19176066

IUPAC2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
SMILESCC(C)C(=O)NC(=S)NCC1CCCO1
InChIInChI=1S/C10H18N2O2S/c1-7(2)9(13)12-10(15)11-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyBLNAIFIMYJSMRV-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.81
Rot. Bonds3

About 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide

2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide (PubChem CID 19176066) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
PubChem CID19176066
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
SMILESCC(C)C(=O)NC(=S)NCC1CCCO1
InChIInChI=1S/C10H18N2O2S/c1-7(2)9(13)12-10(15)11-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyBLNAIFIMYJSMRV-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.81
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-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607
N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide
CID 2908132
3-(2-methylpropanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202643
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 27459491
1-[[(3R)-3-hydroxybutanoyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 27459483
1-[[(2S)-oxolan-2-yl]methyl]-3-[3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]propyl]thiourea
CID 8669320
methyl N-(oxolan-2-ylmethylcarbamothioylamino)carbamate
CID 17373236
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
N-(oxolan-2-ylmethylcarbamothioyl)adamantane-1-carboxamide
CID 54787534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide (CID 19176066) is 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide is CC(C)C(=O)NC(=S)NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide?
The InChIKey is BLNAIFIMYJSMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(2)9(13)12-10(15)11-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide?
2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide has a molecular weight of 230.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide is sourced from PubChem (CID 19176066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).