(4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone

C11H18N4O3S2 — CID 45491645

IUPAC(4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H18N4O3S2/c1-3-4-9-10(19-13-12-9)11(16)14-5-7-15(8-6-14)20(2,17)18/h3-8H2,1-2H3
InChIKeyXSRFOEJWYGNLLC-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.21
Rot. Bonds4

About (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone

(4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 45491645) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID45491645
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H18N4O3S2/c1-3-4-9-10(19-13-12-9)11(16)14-5-7-15(8-6-14)20(2,17)18/h3-8H2,1-2H3
InChIKeyXSRFOEJWYGNLLC-UHFFFAOYSA-N
XLogP0.21
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 45491645) is (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is XSRFOEJWYGNLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-4-9-10(19-13-12-9)11(16)14-5-7-15(8-6-14)20(2,17)18/h3-8H2,1-2H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 45491645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).