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

C16H20N4O2S2 — CID 133455740

IUPAC5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)n1
InChIInChI=1S/C16H20N4O2S2/c1-12-17-16(23-18-12)19-9-4-6-14(11-19)24(21,22)20-10-8-13-5-2-3-7-15(13)20/h2-3,5,7,14H,4,6,8-11H2,1H3
InChIKeyGOCMTXBTAYGCGJ-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.21
Rot. Bonds3

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

5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 133455740) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID133455740
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)n1
InChIInChI=1S/C16H20N4O2S2/c1-12-17-16(23-18-12)19-9-4-6-14(11-19)24(21,22)20-10-8-13-5-2-3-7-15(13)20/h2-3,5,7,14H,4,6,8-11H2,1H3
InChIKeyGOCMTXBTAYGCGJ-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 133455740) is 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)n1.
What is the InChIKey of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is GOCMTXBTAYGCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-12-17-16(23-18-12)19-9-4-6-14(11-19)24(21,22)20-10-8-13-5-2-3-7-15(13)20/h2-3,5,7,14H,4,6,8-11H2,1H3.
What are the key properties of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 364.50 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133455740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).