3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one

C21H30N2O5S2 — CID 55759883

IUPAC3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H30N2O5S2/c24-21(11-15-29(25,26)18-6-2-3-7-18)23-14-10-17-16-19(8-9-20(17)23)30(27,28)22-12-4-1-5-13-22/h8-9,16,18H,1-7,10-15H2
InChIKeyCUJPYZRKIUXGHW-UHFFFAOYSA-N
MW454.61 g/mol
LogP2.50
Rot. Bonds6

About 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one

3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 55759883) has the molecular formula C21H30N2O5S2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID55759883
Molecular FormulaC21H30N2O5S2
Molecular Weight454.61 g/mol
Exact Mass454.16
IUPAC Name3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H30N2O5S2/c24-21(11-15-29(25,26)18-6-2-3-7-18)23-14-10-17-16-19(8-9-20(17)23)30(27,28)22-12-4-1-5-13-22/h8-9,16,18H,1-7,10-15H2
InChIKeyCUJPYZRKIUXGHW-UHFFFAOYSA-N
XLogP2.50
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499
1-(azepan-1-yl)-4-[5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025637
1-(5-methylthiophen-2-yl)-4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 55438635
1-bicyclo[1.1.0]butanyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 167965906
2-(4-fluorophenyl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097857
methyl 2-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]sulfanylacetate
CID 24527163
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
2-(3-methylcyclohexyl)oxy-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 86941530
1-(4-ethoxyphenyl)-4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 55438622
2-fluoro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 167990347
1-(azepan-1-yl)-4-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025613

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one (CID 55759883) is 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one is O=C(CCS(=O)(=O)C1CCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is CUJPYZRKIUXGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5S2/c24-21(11-15-29(25,26)18-6-2-3-7-18)23-14-10-17-16-19(8-9-20(17)23)30(27,28)22-12-4-1-5-13-22/h8-9,16,18H,1-7,10-15H2.
What are the key properties of 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one?
3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 454.61 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 55759883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).