1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine

C18H26N2O2S — CID 2881652

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-14-2-6-17(7-3-14)23(21,22)20-10-8-19(9-11-20)18-13-15-4-5-16(18)12-15/h2-3,6-7,15-16,18H,4-5,8-13H2,1H3
InChIKeyKYDNJCDNCBBPRQ-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 2881652) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID2881652
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-14-2-6-17(7-3-14)23(21,22)20-10-8-19(9-11-20)18-13-15-4-5-16(18)12-15/h2-3,6-7,15-16,18H,4-5,8-13H2,1H3
InChIKeyKYDNJCDNCBBPRQ-UHFFFAOYSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1460019
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CID 146628042
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CID 13222559
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CID 787145
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CID 806921
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CID 1361133
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 2881652) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CC4CCC3C4)CC2)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is KYDNJCDNCBBPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14-2-6-17(7-3-14)23(21,22)20-10-8-19(9-11-20)18-13-15-4-5-16(18)12-15/h2-3,6-7,15-16,18H,4-5,8-13H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 334.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2881652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).