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

C6H14N4O2S — CID 102884051

IUPACN'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESCC1CS(=O)(=O)CCN1C(N)=NN
InChIInChI=1S/C6H14N4O2S/c1-5-4-13(11,12)3-2-10(5)6(7)9-8/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyLSJVFHMSJSXORC-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.71
Rot. Bonds

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

N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (PubChem CID 102884051) has the molecular formula C6H14N4O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
PubChem CID102884051
Molecular FormulaC6H14N4O2S
Molecular Weight206.27 g/mol
Exact Mass206.08
IUPAC NameN'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESCC1CS(=O)(=O)CCN1C(N)=NN
InChIInChI=1S/C6H14N4O2S/c1-5-4-13(11,12)3-2-10(5)6(7)9-8/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyLSJVFHMSJSXORC-UHFFFAOYSA-N
XLogP-1.71
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.71
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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Related Compounds

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine
CID 102887181
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 102883016
(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
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide
CID 102883447
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
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid
CID 102885118
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The IUPAC name of N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (CID 102884051) is N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.
What is the SMILES notation for N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The canonical SMILES for N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is CC1CS(=O)(=O)CCN1C(N)=NN.
What is the InChIKey of N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The InChIKey is LSJVFHMSJSXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2S/c1-5-4-13(11,12)3-2-10(5)6(7)9-8/h5H,2-4,8H2,1H3,(H2,7,9).
What are the key properties of N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide has a molecular weight of 206.27 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is sourced from PubChem (CID 102884051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).