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

C10H15N3O3S2 — CID 71805649

IUPAC(4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H15N3O3S2/c1-7-9(17-12-11-7)10(14)13-5-3-8(4-6-13)18(2,15)16/h8H,3-6H2,1-2H3
InChIKeyTZKPGGGBGACWCV-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.50
Rot. Bonds2

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

(4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71805649) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID71805649
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name(4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H15N3O3S2/c1-7-9(17-12-11-7)10(14)13-5-3-8(4-6-13)18(2,15)16/h8H,3-6H2,1-2H3
InChIKeyTZKPGGGBGACWCV-UHFFFAOYSA-N
XLogP0.50
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.50
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-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 71805649) is (4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of (4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is TZKPGGGBGACWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-7-9(17-12-11-7)10(14)13-5-3-8(4-6-13)18(2,15)16/h8H,3-6H2,1-2H3.
What are the key properties of (4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(4-methylsulfonylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.50, 2 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-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71805649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).