4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide

C7H16N4O4S2 — CID 29566

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IUPAC4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
InChIInChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2
InChIKeyAJKIRUJIDFJUKJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP-2.67
Rot. Bonds2

About 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide

4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide (PubChem CID 29566) has the molecular formula C7H16N4O4S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
PubChem CID29566
Molecular FormulaC7H16N4O4S2
Molecular Weight284.36 g/mol
Exact Mass284.06
IUPAC Name4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
InChIInChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2
InChIKeyAJKIRUJIDFJUKJ-UHFFFAOYSA-N
XLogP-2.67
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-2.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide with MolForge

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Related Compounds

4-[(1,1-Dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide;1,2,4-thiadiazinane 1,1-dioxide
CID 9802246
2-Oxido-4-[(2-oxido-1-oxo-1,2,4-thiadiazinan-2-ium-4-yl)methyl]-1,2,4-thiadiazinan-2-ium 1-oxide
CID 9900472
4-[(1,1-Dioxo-1,2,4-thiadiazinan-4-yl)methyl]-2-methyl-1,2,4-thiadiazinane 1,1-dioxide
CID 14974033
4-[(1,1-Dioxo-2-propyl-1,2,4-thiadiazinan-4-yl)methyl]-2-propyl-1,2,4-thiadiazinane 1,1-dioxide
CID 20556766
2-Aminoethanesulfonamide;4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide;hydrochloride
CID 67562242
2-[(1,1-Dioxo-1,2,4-thiadiazinan-2-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
CID 69650332
5-[(1,1-Dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,5-oxathiazinane 2,2-dioxide
CID 72703655
4-[(1-Methylidene-1-oxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
CID 88904218
4-[(1,1-Dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide;hydron
CID 126745010
Taurolidine-D6
CID 169446721

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide?
The IUPAC name of 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide (CID 29566) is 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide?
The canonical SMILES for 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide is O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1.
What is the InChIKey of 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide?
The InChIKey is AJKIRUJIDFJUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2.
What are the key properties of 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide?
4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide has a molecular weight of 284.36 g/mol, XLogP of -2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 29566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).