N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C7H13N3O2S2 — CID 103894511

IUPACN-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCS(=O)(=O)CCNc1nc(C)ns1
InChIInChI=1S/C7H13N3O2S2/c1-3-14(11,12)5-4-8-7-9-6(2)10-13-7/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyJJJSIGWZCFCWEB-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.69
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 103894511) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID103894511
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC NameN-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCS(=O)(=O)CCNc1nc(C)ns1
InChIInChI=1S/C7H13N3O2S2/c1-3-14(11,12)5-4-8-7-9-6(2)10-13-7/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyJJJSIGWZCFCWEB-UHFFFAOYSA-N
XLogP0.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
CID 115657618
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
CID 115657519
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 130743944
3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
CID 107816082
N-(4-chloropentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 106124940
5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 107269261
N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine
CID 72939636

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 103894511) is N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is CCS(=O)(=O)CCNc1nc(C)ns1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is JJJSIGWZCFCWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-3-14(11,12)5-4-8-7-9-6(2)10-13-7/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 235.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103894511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).