aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate

C11H18N4S — CID 143241201

IUPACaminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate
SMILESCC(C)Cc1ccc(/C(=N/N)SCN)nc1
InChIInChI=1S/C11H18N4S/c1-8(2)5-9-3-4-10(14-6-9)11(15-13)16-7-12/h3-4,6,8H,5,7,12-13H2,1-2H3/b15-11-
InChIKeyDXUJWQLJNCGPKJ-PTNGSMBKSA-N
MW238.36 g/mol
LogP1.55
Rot. Bonds4

About aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate

aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate (PubChem CID 143241201) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate.

Molecular Properties

Compound Nameaminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate
PubChem CID143241201
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Nameaminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate
SMILESCC(C)Cc1ccc(/C(=N/N)SCN)nc1
InChIInChI=1S/C11H18N4S/c1-8(2)5-9-3-4-10(14-6-9)11(15-13)16-7-12/h3-4,6,8H,5,7,12-13H2,1-2H3/b15-11-
InChIKeyDXUJWQLJNCGPKJ-PTNGSMBKSA-N
XLogP1.55
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate?
The IUPAC name of aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate (CID 143241201) is aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate.
What is the SMILES notation for aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate?
The canonical SMILES for aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate is CC(C)Cc1ccc(/C(=N/N)SCN)nc1.
What is the InChIKey of aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate?
The InChIKey is DXUJWQLJNCGPKJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8(2)5-9-3-4-10(14-6-9)11(15-13)16-7-12/h3-4,6,8H,5,7,12-13H2,1-2H3/b15-11-.
What are the key properties of aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate?
aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate has a molecular weight of 238.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl (2Z)-N-amino-5-(2-methylpropyl)pyridine-2-carboximidothioate is sourced from PubChem (CID 143241201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).