1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine

C19H28N2O2S — CID 71890474

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28N2O2S/c22-24(23,19-8-7-16-5-4-6-17(16)15-19)21-13-9-18(10-14-21)20-11-2-1-3-12-20/h7-8,15,18H,1-6,9-14H2
InChIKeyKTONZWQBPDLPHB-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.81
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine (PubChem CID 71890474) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
PubChem CID71890474
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28N2O2S/c22-24(23,19-8-7-16-5-4-6-17(16)15-19)21-13-9-18(10-14-21)20-11-2-1-3-12-20/h7-8,15,18H,1-6,9-14H2
InChIKeyKTONZWQBPDLPHB-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine (CID 71890474) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine?
The InChIKey is KTONZWQBPDLPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-24(23,19-8-7-16-5-4-6-17(16)15-19)21-13-9-18(10-14-21)20-11-2-1-3-12-20/h7-8,15,18H,1-6,9-14H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine has a molecular weight of 348.51 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 71890474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).