5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine

C6H12N4O2S2 — CID 79864551

IUPAC5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCN(CCS(C)(=O)=O)c1nc(N)ns1
InChIInChI=1S/C6H12N4O2S2/c1-10(3-4-14(2,11)12)6-8-5(7)9-13-6/h3-4H2,1-2H3,(H2,7,9)
InChIKeyPIIVTYWTFVUTOU-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.40
Rot. Bonds4

About 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 79864551) has the molecular formula C6H12N4O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID79864551
Molecular FormulaC6H12N4O2S2
Molecular Weight236.32 g/mol
Exact Mass236.04
IUPAC Name5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCN(CCS(C)(=O)=O)c1nc(N)ns1
InChIInChI=1S/C6H12N4O2S2/c1-10(3-4-14(2,11)12)6-8-5(7)9-13-6/h3-4H2,1-2H3,(H2,7,9)
InChIKeyPIIVTYWTFVUTOU-UHFFFAOYSA-N
XLogP-0.40
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine (CID 79864551) is 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine is CN(CCS(C)(=O)=O)c1nc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is PIIVTYWTFVUTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S2/c1-10(3-4-14(2,11)12)6-8-5(7)9-13-6/h3-4H2,1-2H3,(H2,7,9).
What are the key properties of 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 236.32 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 79864551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).