4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide

C11H18N4O3S2 — CID 39999733

IUPAC4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H18N4O3S2/c1-3-9-10(19-14-13-9)11(16)12-8-4-6-15(7-5-8)20(2,17)18/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyHOHZMMGFAYZPJI-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.25
Rot. Bonds4

About 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide

4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide (PubChem CID 39999733) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide
PubChem CID39999733
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H18N4O3S2/c1-3-9-10(19-14-13-9)11(16)12-8-4-6-15(7-5-8)20(2,17)18/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyHOHZMMGFAYZPJI-UHFFFAOYSA-N
XLogP0.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide (CID 39999733) is 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide?
The InChIKey is HOHZMMGFAYZPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-9-10(19-14-13-9)11(16)12-8-4-6-15(7-5-8)20(2,17)18/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 39999733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).