1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C10H16N4O3S2 — CID 6471356

IUPAC1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C10H16N4O3S2/c1-2-19(16,17)14-5-3-8(4-6-14)9(15)12-10-13-11-7-18-10/h7-8H,2-6H2,1H3,(H,12,13,15)
InChIKeyQHKLKSRVABDKQZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.54
Rot. Bonds4

About 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 6471356) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID6471356
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C10H16N4O3S2/c1-2-19(16,17)14-5-3-8(4-6-14)9(15)12-10-13-11-7-18-10/h7-8H,2-6H2,1H3,(H,12,13,15)
InChIKeyQHKLKSRVABDKQZ-UHFFFAOYSA-N
XLogP0.54
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27234369
1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55991046
1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47387426
1-(3,3-difluorobutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 154739258
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
1-(4-ethoxypyrimidin-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 146142616
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 56552889
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 98726037

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 6471356) is 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2nncs2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QHKLKSRVABDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-2-19(16,17)14-5-3-8(4-6-14)9(15)12-10-13-11-7-18-10/h7-8H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6471356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).