[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone

C20H22N2O3S — CID 39894254

IUPAC[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O3S/c23-20(22-14-12-16-7-4-5-11-19(16)22)17-8-6-13-21(15-17)26(24,25)18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2/t17-/m1/s1
InChIKeyMTNMCXNCCAFCII-QGZVFWFLSA-N
MW370.47 g/mol
LogP2.68
Rot. Bonds3

About [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone

[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 39894254) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID39894254
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O3S/c23-20(22-14-12-16-7-4-5-11-19(16)22)17-8-6-13-21(15-17)26(24,25)18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2/t17-/m1/s1
InChIKeyMTNMCXNCCAFCII-QGZVFWFLSA-N
XLogP2.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835728
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112811889
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 40782946
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552708
2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133159675
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659331
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109061546

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (CID 39894254) is [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc21.
What is the InChIKey of [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is MTNMCXNCCAFCII-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(22-14-12-16-7-4-5-11-19(16)22)17-8-6-13-21(15-17)26(24,25)18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2/t17-/m1/s1.
What are the key properties of [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 370.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 39894254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).