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

C12H19N3O3S2 — CID 71805668

IUPAC(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C12H19N3O3S2/c1-3-4-10-11(19-14-13-10)12(16)15-7-5-9(6-8-15)20(2,17)18/h9H,3-8H2,1-2H3
InChIKeyREGYTBQLYMAOMA-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.14
Rot. Bonds4

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

(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 71805668) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID71805668
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C12H19N3O3S2/c1-3-4-10-11(19-14-13-10)12(16)15-7-5-9(6-8-15)20(2,17)18/h9H,3-8H2,1-2H3
InChIKeyREGYTBQLYMAOMA-UHFFFAOYSA-N
XLogP1.14
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 71805668) is (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is REGYTBQLYMAOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-4-10-11(19-14-13-10)12(16)15-7-5-9(6-8-15)20(2,17)18/h9H,3-8H2,1-2H3.
What are the key properties of (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 317.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71805668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).