(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone

C18H26N2O3S — CID 6472541

IUPAC(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H26N2O3S/c1-2-3-13-24(22,23)19-11-6-8-16(14-19)18(21)20-12-10-15-7-4-5-9-17(15)20/h4-5,7,9,16H,2-3,6,8,10-14H2,1H3
InChIKeyXDAIBHJUKOTINH-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.42
Rot. Bonds5

About (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone

(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 6472541) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID6472541
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H26N2O3S/c1-2-3-13-24(22,23)19-11-6-8-16(14-19)18(21)20-12-10-15-7-4-5-9-17(15)20/h4-5,7,9,16H,2-3,6,8,10-14H2,1H3
InChIKeyXDAIBHJUKOTINH-UHFFFAOYSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
CID 110335894
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552708
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 40782946
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675182
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241

Frequently Asked Questions

What is the IUPAC name of (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone (CID 6472541) is (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone is CCCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is XDAIBHJUKOTINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-3-13-24(22,23)19-11-6-8-16(14-19)18(21)20-12-10-15-7-4-5-9-17(15)20/h4-5,7,9,16H,2-3,6,8,10-14H2,1H3.
What are the key properties of (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 6472541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).