O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate

C7H14N2O2S — CID 88511705

IUPACO-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate
SMILESCOC(=S)N(N)C(=O)C(C)(C)C
InChIInChI=1S/C7H14N2O2S/c1-7(2,3)5(10)9(8)6(12)11-4/h8H2,1-4H3
InChIKeyIYYNNHHBUMPNLH-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.67
Rot. Bonds

About O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate

O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate (PubChem CID 88511705) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate.

Molecular Properties

Compound NameO-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate
PubChem CID88511705
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameO-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate
SMILESCOC(=S)N(N)C(=O)C(C)(C)C
InChIInChI=1S/C7H14N2O2S/c1-7(2,3)5(10)9(8)6(12)11-4/h8H2,1-4H3
InChIKeyIYYNNHHBUMPNLH-UHFFFAOYSA-N
XLogP0.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethylpropanehydrazide
CID 56982363
methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate
CID 130396778
2,2-dimethylpropanoate;palladium
CID 146681285
azane;O-methyl carbamothioate
CID 162314519
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate
CID 23261268
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide
CID 82103611
dimethyl oxalate
CID 11120
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103020321
N-ethyl-N-(methoxymethyl)-2,2-dimethylpropanamide
CID 176739143
3,3-dimethyl-2-oxobutanethioamide
CID 55281964

Frequently Asked Questions

What is the IUPAC name of O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate?
The IUPAC name of O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate (CID 88511705) is O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate.
What is the SMILES notation for O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate?
The canonical SMILES for O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate is COC(=S)N(N)C(=O)C(C)(C)C.
What is the InChIKey of O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate?
The InChIKey is IYYNNHHBUMPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-7(2,3)5(10)9(8)6(12)11-4/h8H2,1-4H3.
What are the key properties of O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate?
O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate has a molecular weight of 190.27 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate is sourced from PubChem (CID 88511705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).