4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine

C7H12N4O2S2 — CID 62182410

IUPAC4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12N4O2S2/c8-7-6(9-10-14-7)5-11-1-3-15(12,13)4-2-11/h1-5,8H2
InChIKeyJAHANZOPKJELPV-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.65
Rot. Bonds2

About 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine

4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine (PubChem CID 62182410) has the molecular formula C7H12N4O2S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
PubChem CID62182410
Molecular FormulaC7H12N4O2S2
Molecular Weight248.33 g/mol
Exact Mass248.04
IUPAC Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12N4O2S2/c8-7-6(9-10-14-7)5-11-1-3-15(12,13)4-2-11/h1-5,8H2
InChIKeyJAHANZOPKJELPV-UHFFFAOYSA-N
XLogP-0.65
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine (CID 62182410) is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine is Nc1snnc1CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The InChIKey is JAHANZOPKJELPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S2/c8-7-6(9-10-14-7)5-11-1-3-15(12,13)4-2-11/h1-5,8H2.
What are the key properties of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine has a molecular weight of 248.33 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).