1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine

C22H32N2O2S — CID 22202123

IUPAC1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C22H32N2O2S/c1-2-16-3-5-21(6-4-16)27(25,26)24-9-7-23(8-10-24)22-19-12-17-11-18(14-19)15-20(22)13-17/h3-6,17-20,22H,2,7-15H2,1H3
InChIKeyXZNJDOZZFMIEMD-UHFFFAOYSA-N
MW388.58 g/mol
LogP3.38
Rot. Bonds4

About 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine

1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine (PubChem CID 22202123) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine
PubChem CID22202123
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Name1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C22H32N2O2S/c1-2-16-3-5-21(6-4-16)27(25,26)24-9-7-23(8-10-24)22-19-12-17-11-18(14-19)15-20(22)13-17/h3-6,17-20,22H,2,7-15H2,1H3
InChIKeyXZNJDOZZFMIEMD-UHFFFAOYSA-N
XLogP3.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 22202118
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
3-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91913096
1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208397
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22202160
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551
5-(4-ethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211625
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine (CID 22202123) is 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1.
What is the InChIKey of 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The InChIKey is XZNJDOZZFMIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-2-16-3-5-21(6-4-16)27(25,26)24-9-7-23(8-10-24)22-19-12-17-11-18(14-19)15-20(22)13-17/h3-6,17-20,22H,2,7-15H2,1H3.
What are the key properties of 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine?
1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine has a molecular weight of 388.58 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 22202123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).