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

C9H15N5O2S2 — CID 71846644

IUPAC5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C9H15N5O2S2/c10-8-11-9(17-12-8)13-3-5-14(6-4-13)18(15,16)7-1-2-7/h7H,1-6H2,(H2,10,12)
InChIKeyIJUBSSDRMWRFGZ-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.27
Rot. Bonds3

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

5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 71846644) has the molecular formula C9H15N5O2S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID71846644
Molecular FormulaC9H15N5O2S2
Molecular Weight289.39 g/mol
Exact Mass289.07
IUPAC Name5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C9H15N5O2S2/c10-8-11-9(17-12-8)13-3-5-14(6-4-13)18(15,16)7-1-2-7/h7H,1-6H2,(H2,10,12)
InChIKeyIJUBSSDRMWRFGZ-UHFFFAOYSA-N
XLogP-0.27
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine (CID 71846644) is 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCN(S(=O)(=O)C3CC3)CC2)n1.
What is the InChIKey of 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is IJUBSSDRMWRFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S2/c10-8-11-9(17-12-8)13-3-5-14(6-4-13)18(15,16)7-1-2-7/h7H,1-6H2,(H2,10,12).
What are the key properties of 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine?
5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 289.39 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 71846644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).