5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

C14H17N3O2S2 — CID 139027098

IUPAC5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C14H17N3O2S2/c1-11-15-14(20-16-11)17-9-7-13(8-10-17)21(18,19)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyRZZVUOZHTQNUOC-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.29
Rot. Bonds3

About 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 139027098) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID139027098
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C14H17N3O2S2/c1-11-15-14(20-16-11)17-9-7-13(8-10-17)21(18,19)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyRZZVUOZHTQNUOC-UHFFFAOYSA-N
XLogP2.29
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(benzenesulfonyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 139022993
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
N-[4-[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]sulfonylphenyl]acetamide
CID 70313847
6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122054013
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-ethylpyrimidine
CID 139028839
3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 139029459
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133316261

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 139027098) is 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is RZZVUOZHTQNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-11-15-14(20-16-11)17-9-7-13(8-10-17)21(18,19)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3.
What are the key properties of 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 323.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 139027098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).