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

C8H14N4O2S2 — CID 82090856

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(S(=O)(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C8H14N4O2S2/c1-6-2-4-12(5-3-6)16(13,14)8-11-10-7(9)15-8/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyWFSNKJXCGXXWOL-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.54
Rot. Bonds2

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

5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine (PubChem CID 82090856) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine
PubChem CID82090856
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(S(=O)(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C8H14N4O2S2/c1-6-2-4-12(5-3-6)16(13,14)8-11-10-7(9)15-8/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyWFSNKJXCGXXWOL-UHFFFAOYSA-N
XLogP0.54
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine (CID 82090856) is 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine is CC1CCN(S(=O)(=O)c2nnc(N)s2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WFSNKJXCGXXWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-6-2-4-12(5-3-6)16(13,14)8-11-10-7(9)15-8/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine?
5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82090856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).