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

C20H24N2O2S — CID 1151771

IUPAC1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H24N2O2S/c23-25(24,16-17-6-2-1-3-7-17)22-12-10-21(11-13-22)20-14-18-8-4-5-9-19(18)15-20/h1-9,20H,10-16H2
InChIKeyUJSMHXSHJORSNH-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.30
Rot. Bonds4

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

1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine (PubChem CID 1151771) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine
PubChem CID1151771
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H24N2O2S/c23-25(24,16-17-6-2-1-3-7-17)22-12-10-21(11-13-22)20-14-18-8-4-5-9-19(18)15-20/h1-9,20H,10-16H2
InChIKeyUJSMHXSHJORSNH-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
The IUPAC name of 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine (CID 1151771) is 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine is O=S(=O)(Cc1ccccc1)N1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
The InChIKey is UJSMHXSHJORSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-25(24,16-17-6-2-1-3-7-17)22-12-10-21(11-13-22)20-14-18-8-4-5-9-19(18)15-20/h1-9,20H,10-16H2.
What are the key properties of 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine has a molecular weight of 356.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine is sourced from PubChem (CID 1151771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).