3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine

C14H24N4O2S2 — CID 128848948

IUPAC3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCN(CCNc2nc(C3CCCCC3)ns2)CC1
InChIInChI=1S/C14H24N4O2S2/c19-22(20)10-8-18(9-11-22)7-6-15-14-16-13(17-21-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,15,16,17)
InChIKeyHBYOAFAOWASXBY-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.73
Rot. Bonds5

About 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 128848948) has the molecular formula C14H24N4O2S2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID128848948
Molecular FormulaC14H24N4O2S2
Molecular Weight344.51 g/mol
Exact Mass344.13
IUPAC Name3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCN(CCNc2nc(C3CCCCC3)ns2)CC1
InChIInChI=1S/C14H24N4O2S2/c19-22(20)10-8-18(9-11-22)7-6-15-14-16-13(17-21-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,15,16,17)
InChIKeyHBYOAFAOWASXBY-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 128848948) is 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine is O=S1(=O)CCN(CCNc2nc(C3CCCCC3)ns2)CC1.
What is the InChIKey of 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HBYOAFAOWASXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S2/c19-22(20)10-8-18(9-11-22)7-6-15-14-16-13(17-21-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,15,16,17).
What are the key properties of 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 344.51 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 128848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).