1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone

C15H17N3O4S2 — CID 131702421

IUPAC1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3nncs3)CC2)c1
InChIInChI=1S/C15H17N3O4S2/c1-11(19)12-3-2-4-14(9-12)24(20,21)18-7-5-13(6-8-18)22-15-17-16-10-23-15/h2-4,9-10,13H,5-8H2,1H3
InChIKeyPYBTYZRRDYWVFH-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.97
Rot. Bonds5

About 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 131702421) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID131702421
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC Name1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3nncs3)CC2)c1
InChIInChI=1S/C15H17N3O4S2/c1-11(19)12-3-2-4-14(9-12)24(20,21)18-7-5-13(6-8-18)22-15-17-16-10-23-15/h2-4,9-10,13H,5-8H2,1H3
InChIKeyPYBTYZRRDYWVFH-UHFFFAOYSA-N
XLogP1.97
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 121163402
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
1-[3-[(3S)-3-methylsulfonylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 97354833
1-[3-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 103896772
1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 71781202
1-[3-[[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]sulfonyl]phenyl]ethanone
CID 90629946
1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
CID 122256534
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
1-[3-[3-(triazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 121178845
1-[3-[4-[(4-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 110411301
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone (CID 131702421) is 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3nncs3)CC2)c1.
What is the InChIKey of 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is PYBTYZRRDYWVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-11(19)12-3-2-4-14(9-12)24(20,21)18-7-5-13(6-8-18)22-15-17-16-10-23-15/h2-4,9-10,13H,5-8H2,1H3.
What are the key properties of 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 367.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 131702421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).