1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine

C13H18N2O2S — CID 2443018

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCNCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-8-6-14-7-9-15)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14H,1-3,6-9H2
InChIKeyXPBFJJXSHATUKG-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.77
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (PubChem CID 2443018) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
PubChem CID2443018
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCNCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-8-6-14-7-9-15)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14H,1-3,6-9H2
InChIKeyXPBFJJXSHATUKG-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Naphthalene-2-sulfonyl)-piperazine
CID 703957
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propanenitrile
CID 9257996
4-Pyrrolidin-1-ylsulfonyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 9835715
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 10271568
1-(5,6,7,8-Tetrahydronaphthalene-2-sulfonyl)piperazine
CID 2546175
4-(Aziridin-1-ylsulfonyl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44404455
7-(piperidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44573222
1-[(3,4-Dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 794419
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide
CID 9268561
4-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperazine-1-carbothioamide
CID 2090793
1-[(4-Propylphenyl)sulfonyl]piperazine
CID 2492743

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (CID 2443018) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCNCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The InChIKey is XPBFJJXSHATUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,15-8-6-14-7-9-15)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14H,1-3,6-9H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine has a molecular weight of 266.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 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)piperazine is sourced from PubChem (CID 2443018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).