5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C16H22N2O4S — CID 110725492

IUPAC5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC(C)OC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C16H22N2O4S/c1-11(2)22-13-5-7-18(8-6-13)23(20,21)14-3-4-15-12(9-14)10-16(19)17-15/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyLGDSIALTEOJQPG-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.76
Rot. Bonds4

About 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110725492) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID110725492
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC(C)OC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C16H22N2O4S/c1-11(2)22-13-5-7-18(8-6-13)23(20,21)14-3-4-15-12(9-14)10-16(19)17-15/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyLGDSIALTEOJQPG-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 119974817
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110720855
N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 113003339
N-cyclopropyl-2-oxo-N-propan-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110872901
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 110725492) is 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is CC(C)OC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is LGDSIALTEOJQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(2)22-13-5-7-18(8-6-13)23(20,21)14-3-4-15-12(9-14)10-16(19)17-15/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 338.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110725492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).