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

C17H23N3O4S2 — CID 30864220

IUPAC2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)s1
InChIInChI=1S/C17H23N3O4S2/c1-4-16-18-19-17(25-16)12-7-9-20(10-8-12)26(21,22)15-11-13(23-2)5-6-14(15)24-3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyUGOUAXRHJWAMKN-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.69
Rot. Bonds6

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

2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole (PubChem CID 30864220) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
PubChem CID30864220
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)s1
InChIInChI=1S/C17H23N3O4S2/c1-4-16-18-19-17(25-16)12-7-9-20(10-8-12)26(21,22)15-11-13(23-2)5-6-14(15)24-3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyUGOUAXRHJWAMKN-UHFFFAOYSA-N
XLogP2.69
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole
CID 30864277
2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
CID 30864223
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151428
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714214
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
4-(2,5-dimethoxyphenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629604
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630
5-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 46300189
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53130800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole (CID 30864220) is 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole is CCc1nnc(C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)s1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
The InChIKey is UGOUAXRHJWAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-4-16-18-19-17(25-16)12-7-9-20(10-8-12)26(21,22)15-11-13(23-2)5-6-14(15)24-3/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole?
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole has a molecular weight of 397.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 30864220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).