5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine

C7H13N5O2S2 — CID 66281005

IUPAC5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCS(=O)(=O)N1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C7H13N5O2S2/c1-16(13,14)12-4-2-11(3-5-12)7-9-6(8)10-15-7/h2-5H2,1H3,(H2,8,10)
InChIKeyWCQQJFDLWPMDGK-UHFFFAOYSA-N
MW263.35 g/mol
LogP-0.80
Rot. Bonds2

About 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine

5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66281005) has the molecular formula C7H13N5O2S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66281005
Molecular FormulaC7H13N5O2S2
Molecular Weight263.35 g/mol
Exact Mass263.05
IUPAC Name5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCS(=O)(=O)N1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C7H13N5O2S2/c1-16(13,14)12-4-2-11(3-5-12)7-9-6(8)10-15-7/h2-5H2,1H3,(H2,8,10)
InChIKeyWCQQJFDLWPMDGK-UHFFFAOYSA-N
XLogP-0.80
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine (CID 66281005) is 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine is CS(=O)(=O)N1CCN(c2nc(N)ns2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is WCQQJFDLWPMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2S2/c1-16(13,14)12-4-2-11(3-5-12)7-9-6(8)10-15-7/h2-5H2,1H3,(H2,8,10).
What are the key properties of 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 263.35 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66281005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).