O-methyl N-amino-N-pyridin-3-ylcarbamothioate

C7H9N3OS — CID 87434282

IUPACO-methyl N-amino-N-pyridin-3-ylcarbamothioate
SMILESCOC(=S)N(N)c1cccnc1
InChIInChI=1S/C7H9N3OS/c1-11-7(12)10(8)6-3-2-4-9-5-6/h2-5H,8H2,1H3
InChIKeyMIINFPNWBRAWCM-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.69
Rot. Bonds1

About O-methyl N-amino-N-pyridin-3-ylcarbamothioate

O-methyl N-amino-N-pyridin-3-ylcarbamothioate (PubChem CID 87434282) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is O-methyl N-amino-N-pyridin-3-ylcarbamothioate.

Molecular Properties

Compound NameO-methyl N-amino-N-pyridin-3-ylcarbamothioate
PubChem CID87434282
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC NameO-methyl N-amino-N-pyridin-3-ylcarbamothioate
SMILESCOC(=S)N(N)c1cccnc1
InChIInChI=1S/C7H9N3OS/c1-11-7(12)10(8)6-3-2-4-9-5-6/h2-5H,8H2,1H3
InChIKeyMIINFPNWBRAWCM-UHFFFAOYSA-N
XLogP0.69
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
CID 138436775
formaldehyde;1-methyl-1-pyridin-3-ylhydrazine
CID 143631457
pyridin-3-ylthiourea
CID 2760515
(111C)methyl pyridine-3-carboxylate
CID 11309537
O-methyl N-amino-N-(4-methyl-2-pyridinyl)carbamothioate;hydroiodide
CID 87434458
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
azane;N-methylpyridin-3-amine
CID 70247108
2-N'-methyl-2-N'-pyridin-3-ylpropane-2,2-diamine
CID 67770440
methyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 112579053
methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
CID 113333029
CID 22254315
CID 22254315
methyl (2S)-2-(pyridine-3-carbonylcarbamothioylamino)propanoate
CID 131844422

Frequently Asked Questions

What is the IUPAC name of O-methyl N-amino-N-pyridin-3-ylcarbamothioate?
The IUPAC name of O-methyl N-amino-N-pyridin-3-ylcarbamothioate (CID 87434282) is O-methyl N-amino-N-pyridin-3-ylcarbamothioate.
What is the SMILES notation for O-methyl N-amino-N-pyridin-3-ylcarbamothioate?
The canonical SMILES for O-methyl N-amino-N-pyridin-3-ylcarbamothioate is COC(=S)N(N)c1cccnc1.
What is the InChIKey of O-methyl N-amino-N-pyridin-3-ylcarbamothioate?
The InChIKey is MIINFPNWBRAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-11-7(12)10(8)6-3-2-4-9-5-6/h2-5H,8H2,1H3.
What are the key properties of O-methyl N-amino-N-pyridin-3-ylcarbamothioate?
O-methyl N-amino-N-pyridin-3-ylcarbamothioate has a molecular weight of 183.24 g/mol, XLogP of 0.69, 1 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-pyridin-3-ylcarbamothioate is sourced from PubChem (CID 87434282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).