2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole

C17H23N3O2S2 — CID 30864223

IUPAC2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)s1
InChIInChI=1S/C17H23N3O2S2/c1-4-16-18-19-17(23-16)14-7-9-20(10-8-14)24(21,22)15-11-12(2)5-6-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3
InChIKeyWSQKRZGIOKCECL-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.29
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole

2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole (PubChem CID 30864223) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
PubChem CID30864223
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)s1
InChIInChI=1S/C17H23N3O2S2/c1-4-16-18-19-17(23-16)14-7-9-20(10-8-14)24(21,22)15-11-12(2)5-6-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3
InChIKeyWSQKRZGIOKCECL-UHFFFAOYSA-N
XLogP3.29
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27234855
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
CID 30864220
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522191
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871203
1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941143
1-(2,5-dimethylphenyl)sulfonyl-4,4-difluoropiperidine
CID 139027359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1081046
N-(2,4-difluorophenyl)-5-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818872
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 48737522

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole (CID 30864223) is 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole is CCc1nnc(C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)s1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
The InChIKey is WSQKRZGIOKCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-4-16-18-19-17(23-16)14-7-9-20(10-8-14)24(21,22)15-11-12(2)5-6-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole has a molecular weight of 365.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 30864223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).