1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine

C7H14N2O2S — CID 102887181

IUPAC1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine
SMILES[H]/N=C(\C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C7H14N2O2S/c1-6-5-12(10,11)4-3-9(6)7(2)8/h6,8H,3-5H2,1-2H3/b8-7+
InChIKeyMTYZORFDDXYFEF-BQYQJAHWSA-N
MW190.27 g/mol
LogP0.10
Rot. Bonds

About 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine (PubChem CID 102887181) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine
PubChem CID102887181
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine
SMILES[H]/N=C(\C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C7H14N2O2S/c1-6-5-12(10,11)4-3-9(6)7(2)8/h6,8H,3-5H2,1-2H3/b8-7+
InChIKeyMTYZORFDDXYFEF-BQYQJAHWSA-N
XLogP0.10
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 102883016
N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
CID 102884051
(2S)-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]butanedioic acid
CID 102885035
3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 102883074
3-chloro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883010
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone
CID 102883594
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 113266999
4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 103797329
2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 102885299
3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide
CID 102883053
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine?
The IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine (CID 102887181) is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine.
What is the SMILES notation for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine?
The canonical SMILES for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine is [H]/N=C(\C)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine?
The InChIKey is MTYZORFDDXYFEF-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6-5-12(10,11)4-3-9(6)7(2)8/h6,8H,3-5H2,1-2H3/b8-7+.
What are the key properties of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine?
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine has a molecular weight of 190.27 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine is sourced from PubChem (CID 102887181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).