1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]

C20H30N2O2S — CID 118742620

IUPAC1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCCS(=O)(=O)N1CCC2(CC1)CC(N1CCCC1)c1ccccc12
InChIInChI=1S/C20H30N2O2S/c1-2-15-25(23,24)22-13-9-20(10-14-22)16-19(21-11-5-6-12-21)17-7-3-4-8-18(17)20/h3-4,7-8,19H,2,5-6,9-16H2,1H3
InChIKeyNDANEMGBSTWULS-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.30
Rot. Bonds4

About 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]

1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 118742620) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID118742620
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCCS(=O)(=O)N1CCC2(CC1)CC(N1CCCC1)c1ccccc12
InChIInChI=1S/C20H30N2O2S/c1-2-15-25(23,24)22-13-9-20(10-14-22)16-19(21-11-5-6-12-21)17-7-3-4-8-18(17)20/h3-4,7-8,19H,2,5-6,9-16H2,1H3
InChIKeyNDANEMGBSTWULS-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanesulfonic acid biphenyl-2-ylmethyl-((S)-1-methyl-pyrrolidin-3-yl)-amide
CID 44578270
2-Cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51360711
1-(2,3-dihydro-1H-inden-2-yl)-4-(propylsulfonyl)piperazine
CID 740717
1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 118742623
N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118744827
1-(2,3-dihydro-1H-inden-2-yl)-4-(ethylsulfonyl)piperazine
CID 777508
3-Butyl-1,4,6,10b-tetrahydro-[1,2,4]thiadiazino[5,4-a]isoindole 2,2-dioxide
CID 60156913
3-Cyclopentyl-1,4,6,10b-tetrahydro-[1,2,4]thiadiazino[5,4-a]isoindole 2,2-dioxide
CID 60156914
3-Octyl-1,4,6,10b-tetrahydro-[1,2,4]thiadiazino[5,4-a]isoindole 2,2-dioxide
CID 60156915
3-Cyclopentyl-9-methyl-1,4,6,10b-tetrahydro-[1,2,4]thiadiazino[5,4-a]isoindole 2,2-dioxide
CID 60156938
1'-Propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
CID 118742619
1-[[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonylmethyl]cyclopentane-1-carbonitrile
CID 164643082

Frequently Asked Questions

What is the IUPAC name of 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine] (CID 118742620) is 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine] is CCCS(=O)(=O)N1CCC2(CC1)CC(N1CCCC1)c1ccccc12.
What is the InChIKey of 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is NDANEMGBSTWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-2-15-25(23,24)22-13-9-20(10-14-22)16-19(21-11-5-6-12-21)17-7-3-4-8-18(17)20/h3-4,7-8,19H,2,5-6,9-16H2,1H3.
What are the key properties of 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]?
1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 362.54 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 118742620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).