1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole

C17H26N2O2S — CID 22058070

IUPAC1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
SMILESCC1CCN(CCCS(=O)(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H26N2O2S/c1-15-7-11-18(12-8-15)10-4-14-22(20,21)19-13-9-16-5-2-3-6-17(16)19/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyHAJOSJXKKZQEPL-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.50
Rot. Bonds5

About 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole

1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole (PubChem CID 22058070) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
PubChem CID22058070
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
SMILESCC1CCN(CCCS(=O)(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H26N2O2S/c1-15-7-11-18(12-8-15)10-4-14-22(20,21)19-13-9-16-5-2-3-6-17(16)19/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyHAJOSJXKKZQEPL-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole
CID 22058044
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole
CID 115049579
1-[2-(4-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 54807289
1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole
CID 56764845
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
CID 110030617
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109444231
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-pentylguanidine
CID 111129065
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole (CID 22058070) is 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole is CC1CCN(CCCS(=O)(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole?
The InChIKey is HAJOSJXKKZQEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-15-7-11-18(12-8-15)10-4-14-22(20,21)19-13-9-16-5-2-3-6-17(16)19/h2-3,5-6,15H,4,7-14H2,1H3.
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole?
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole has a molecular weight of 322.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole is sourced from PubChem (CID 22058070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).