1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine

C19H26N2O2S — CID 56574060

IUPAC1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C19H26N2O2S/c22-24(23,19-10-9-16-5-4-6-17(16)15-19)21-13-11-20(12-14-21)18-7-2-1-3-8-18/h2,7,9-10,15,18H,1,3-6,8,11-14H2
InChIKeyRRIWSHKGZICYIO-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.59
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine

1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (PubChem CID 56574060) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
PubChem CID56574060
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C19H26N2O2S/c22-24(23,19-10-9-16-5-4-6-17(16)15-19)21-13-11-20(12-14-21)18-7-2-1-3-8-18/h2,7,9-10,15,18H,1,3-6,8,11-14H2
InChIKeyRRIWSHKGZICYIO-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The IUPAC name of 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (CID 56574060) is 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(C2C=CCCC2)CC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The InChIKey is RRIWSHKGZICYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-24(23,19-10-9-16-5-4-6-17(16)15-19)21-13-11-20(12-14-21)18-7-2-1-3-8-18/h2,7,9-10,15,18H,1,3-6,8,11-14H2.
What are the key properties of 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine has a molecular weight of 346.50 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine is sourced from PubChem (CID 56574060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).