[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

C7H12N4O3S — CID 106969301

IUPAC[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(N2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C7H12N4O3S/c8-5-6-9-10-7(14-6)11-1-3-15(12,13)4-2-11/h1-5,8H2
InChIKeyJIVRESBGAAJSDP-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.24
Rot. Bonds2

About [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106969301) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106969301
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(N2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C7H12N4O3S/c8-5-6-9-10-7(14-6)11-1-3-15(12,13)4-2-11/h1-5,8H2
InChIKeyJIVRESBGAAJSDP-UHFFFAOYSA-N
XLogP-1.24
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 106969301) is [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(N2CCS(=O)(=O)CC2)o1.
What is the InChIKey of [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is JIVRESBGAAJSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c8-5-6-9-10-7(14-6)11-1-3-15(12,13)4-2-11/h1-5,8H2.
What are the key properties of [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 232.26 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106969301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).