1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine

C16H24N2O2S — CID 740717

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C16H24N2O2S/c1-2-11-21(19,20)18-9-7-17(8-10-18)16-12-14-5-3-4-6-15(14)13-16/h3-6,16H,2,7-13H2,1H3
InChIKeyGQNKASNODDBZNR-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.51
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine

1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine (PubChem CID 740717) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine
PubChem CID740717
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C16H24N2O2S/c1-2-11-21(19,20)18-9-7-17(8-10-18)16-12-14-5-3-4-6-15(14)13-16/h3-6,16H,2,7-13H2,1H3
InChIKeyGQNKASNODDBZNR-UHFFFAOYSA-N
XLogP1.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzylsulfonyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 1151771
1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
1-Indan-2-yl-4-(propane-1-sulfonyl)-piperazine
CID 2900997
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
1-(Benzylsulfonyl)-4-(butan-2-yl)piperazine
CID 3145554
4-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
CID 51360663
1-Ethanesulfonyl-4-indan-2-yl-piperazine
CID 2902318
N-methyl-N-(2-phenylethyl)-1-[(2,2,2-trifluoroethyl)sulfonyl]piperidin-3-amine
CID 23723245
4-(4-Benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide
CID 51359859
4-(4-Hexylpiperazin-1-yl)-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
CID 51360660
1''-butylsulfonylspiro[1H-indene-1,4''-(hexahydropyridine)]
CID 10335267
2-Cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359918

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine (CID 740717) is 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine?
The InChIKey is GQNKASNODDBZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-11-21(19,20)18-9-7-17(8-10-18)16-12-14-5-3-4-6-15(14)13-16/h3-6,16H,2,7-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine?
1-(2,3-dihydro-1H-inden-2-yl)-4-propylsulfonylpiperazine has a molecular weight of 308.45 g/mol, XLogP of 1.51, 4 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-2-yl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 740717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).