N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide

C6H14N4OS — CID 104882079

IUPACN-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide
SMILESC/N=C(\NN)N1CCS(=O)CC1
InChIInChI=1S/C6H14N4OS/c1-8-6(9-7)10-2-4-12(11)5-3-10/h2-5,7H2,1H3,(H,8,9)
InChIKeyQDJOISBWPOHGDR-UHFFFAOYSA-N
MW190.27 g/mol
LogP-1.50
Rot. Bonds

About N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide

N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide (PubChem CID 104882079) has the molecular formula C6H14N4OS and a molecular weight of 190.27 g/mol. Its IUPAC name is N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide
PubChem CID104882079
Molecular FormulaC6H14N4OS
Molecular Weight190.27 g/mol
Exact Mass190.09
IUPAC NameN-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide
SMILESC/N=C(\NN)N1CCS(=O)CC1
InChIInChI=1S/C6H14N4OS/c1-8-6(9-7)10-2-4-12(11)5-3-10/h2-5,7H2,1H3,(H,8,9)
InChIKeyQDJOISBWPOHGDR-UHFFFAOYSA-N
XLogP-1.50
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide?
The IUPAC name of N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide (CID 104882079) is N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide is C/N=C(\NN)N1CCS(=O)CC1.
What is the InChIKey of N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide?
The InChIKey is QDJOISBWPOHGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS/c1-8-6(9-7)10-2-4-12(11)5-3-10/h2-5,7H2,1H3,(H,8,9).
What are the key properties of N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide?
N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide has a molecular weight of 190.27 g/mol, XLogP of -1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-1-oxo-1,4-thiazinane-4-carboximidamide is sourced from PubChem (CID 104882079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).