N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide

C7H16N4O2S — CID 102888019

IUPACN-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESC/N=C(\NN)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C7H16N4O2S/c1-6-5-14(12,13)4-3-11(6)7(9-2)10-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyOYDLLGRQIXUIEO-UHFFFAOYSA-N
MW220.30 g/mol
LogP-1.45
Rot. Bonds

About N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide

N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (PubChem CID 102888019) has the molecular formula C7H16N4O2S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
PubChem CID102888019
Molecular FormulaC7H16N4O2S
Molecular Weight220.30 g/mol
Exact Mass220.10
IUPAC NameN-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESC/N=C(\NN)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C7H16N4O2S/c1-6-5-14(12,13)4-3-11(6)7(9-2)10-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyOYDLLGRQIXUIEO-UHFFFAOYSA-N
XLogP-1.45
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The IUPAC name of N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (CID 102888019) is N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.
What is the SMILES notation for N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The canonical SMILES for N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is C/N=C(\NN)N1CCS(=O)(=O)CC1C.
What is the InChIKey of N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The InChIKey is OYDLLGRQIXUIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2S/c1-6-5-14(12,13)4-3-11(6)7(9-2)10-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide has a molecular weight of 220.30 g/mol, XLogP of -1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is sourced from PubChem (CID 102888019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).