4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

C16H24N6O3S2 — CID 122430426

IUPAC4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3cnns3)CC2)n(C)n1
InChIInChI=1S/C16H24N6O3S2/c1-11-9-14(21(4)19-11)27(24,25)16(2,3)12-5-7-22(8-6-12)15(23)18-13-10-17-20-26-13/h9-10,12H,5-8H2,1-4H3,(H,18,23)
InChIKeyHAMLRPSBVXFLPJ-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.08
Rot. Bonds4

About 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 122430426) has the molecular formula C16H24N6O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID122430426
Molecular FormulaC16H24N6O3S2
Molecular Weight412.54 g/mol
Exact Mass412.14
IUPAC Name4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3cnns3)CC2)n(C)n1
InChIInChI=1S/C16H24N6O3S2/c1-11-9-14(21(4)19-11)27(24,25)16(2,3)12-5-7-22(8-6-12)15(23)18-13-10-17-20-26-13/h9-10,12H,5-8H2,1-4H3,(H,18,23)
InChIKeyHAMLRPSBVXFLPJ-UHFFFAOYSA-N
XLogP2.08
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122430681
N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide
CID 122430689
4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 122430388
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 134368515
4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122484410
(3R)-3-(ethoxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99831664
4-[1-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430677
(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 154735256
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 86807487
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 55695335
2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 126787490

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (CID 122430426) is 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is Cc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3cnns3)CC2)n(C)n1.
What is the InChIKey of 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is HAMLRPSBVXFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S2/c1-11-9-14(21(4)19-11)27(24,25)16(2,3)12-5-7-22(8-6-12)15(23)18-13-10-17-20-26-13/h9-10,12H,5-8H2,1-4H3,(H,18,23).
What are the key properties of 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122430426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).