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

C15H22N2O2S — CID 777508

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C15H22N2O2S/c1-2-20(18,19)17-9-7-16(8-10-17)15-11-13-5-3-4-6-14(13)12-15/h3-6,15H,2,7-12H2,1H3
InChIKeyFRCOEEKFBJINHB-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.12
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine (PubChem CID 777508) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine
PubChem CID777508
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C15H22N2O2S/c1-2-20(18,19)17-9-7-16(8-10-17)15-11-13-5-3-4-6-14(13)12-15/h3-6,15H,2,7-12H2,1H3
InChIKeyFRCOEEKFBJINHB-UHFFFAOYSA-N
XLogP1.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.12
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-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-Methanesulfonyl-4-(2-methyl-benzyl)-piperazine
CID 786264
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-Hexylpiperazin-1-yl)-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
CID 51360660
1-(2,3-dihydro-1H-inden-2-yl)-4-(propylsulfonyl)piperazine
CID 740717
1''-butylsulfonylspiro[1H-indene-1,4''-(hexahydropyridine)]
CID 10335267
2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 51360658

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine (CID 777508) is 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine?
The InChIKey is FRCOEEKFBJINHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-20(18,19)17-9-7-16(8-10-17)15-11-13-5-3-4-6-14(13)12-15/h3-6,15H,2,7-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine?
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylpiperazine has a molecular weight of 294.42 g/mol, XLogP of 1.12, 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-2-yl)-4-ethylsulfonylpiperazine is sourced from PubChem (CID 777508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).