cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C18H24N2O3S — CID 50846731

IUPACcyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc2c(cc1S(=O)(=O)N1CCCCC1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C18H24N2O3S/c1-13-11-15-7-10-20(18(21)14-5-6-14)16(15)12-17(13)24(22,23)19-8-3-2-4-9-19/h11-12,14H,2-10H2,1H3
InChIKeyFSBQTASGKZHDEW-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.47
Rot. Bonds3

About cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 50846731) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID50846731
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Namecyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc2c(cc1S(=O)(=O)N1CCCCC1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C18H24N2O3S/c1-13-11-15-7-10-20(18(21)14-5-6-14)16(15)12-17(13)24(22,23)19-8-3-2-4-9-19/h11-12,14H,2-10H2,1H3
InChIKeyFSBQTASGKZHDEW-UHFFFAOYSA-N
XLogP2.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 46504972
(2R)-7-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]sulfonyl-2,6-dimethyl-4H-1,4-benzoxazin-3-one
CID 92865901
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
cyclobutyl-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 20853258
[5-bromo-7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987810
(5-bromo-2,3-dihydroindol-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799676
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,4,5-trimethylbenzenesulfonamide
CID 7498812
(2R)-7-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]sulfonyl-2-ethyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 92866071
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-cycloheptylpropanamide
CID 46248517
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 98366085

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 50846731) is cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is Cc1cc2c(cc1S(=O)(=O)N1CCCCC1)N(C(=O)C1CC1)CC2.
What is the InChIKey of cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is FSBQTASGKZHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-11-15-7-10-20(18(21)14-5-6-14)16(15)12-17(13)24(22,23)19-8-3-2-4-9-19/h11-12,14H,2-10H2,1H3.
What are the key properties of cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 348.47 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 50846731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).