N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine

C9H15N3O2S2 — CID 65274448

IUPACN-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCS(=O)(=O)C2)n1
InChIInChI=1S/C9H15N3O2S2/c1-2-8-11-9(15-12-8)10-7-4-3-5-16(13,14)6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyFFISROQMFLYTBD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.09
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65274448) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65274448
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC NameN-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCS(=O)(=O)C2)n1
InChIInChI=1S/C9H15N3O2S2/c1-2-8-11-9(15-12-8)10-7-4-3-5-16(13,14)6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyFFISROQMFLYTBD-UHFFFAOYSA-N
XLogP1.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 86801697
N-[(8S)-5,5-dioxo-5lambda6-thiaspiro[3.5]nonan-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 164629461
3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164635320
N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304731
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304964
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992
N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305150
N-(1,1-dioxothian-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267447
3-methyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65267745
N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268232
3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268266
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268321

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65274448) is N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCCS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FFISROQMFLYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-2-8-11-9(15-12-8)10-7-4-3-5-16(13,14)6-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 261.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).