N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide

C8H18N4O2S — CID 102888022

IUPACN-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESCC/N=C(\NN)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C8H18N4O2S/c1-3-10-8(11-9)12-4-5-15(13,14)6-7(12)2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyNDUUQBKFUHMMIA-UHFFFAOYSA-N
MW234.32 g/mol
LogP-1.06
Rot. Bonds1

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

N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (PubChem CID 102888022) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
PubChem CID102888022
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC NameN-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESCC/N=C(\NN)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C8H18N4O2S/c1-3-10-8(11-9)12-4-5-15(13,14)6-7(12)2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyNDUUQBKFUHMMIA-UHFFFAOYSA-N
XLogP-1.06
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-1.06
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'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (CID 102888022) is N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is CC/N=C(\NN)N1CCS(=O)(=O)CC1C.
What is the InChIKey of N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The InChIKey is NDUUQBKFUHMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-3-10-8(11-9)12-4-5-15(13,14)6-7(12)2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide has a molecular weight of 234.32 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is sourced from PubChem (CID 102888022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).