1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine

C15H22N2O2S — CID 117475097

IUPAC1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
SMILESO=S(=O)(c1ccccc1CCN1CCNCC1)C1CC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,14-5-6-14)15-4-2-1-3-13(15)7-10-17-11-8-16-9-12-17/h1-4,14,16H,5-12H2
InChIKeyBXSDJRDSODOIIH-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine

1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine (PubChem CID 117475097) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
PubChem CID117475097
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
SMILESO=S(=O)(c1ccccc1CCN1CCNCC1)C1CC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,14-5-6-14)15-4-2-1-3-13(15)7-10-17-11-8-16-9-12-17/h1-4,14,16H,5-12H2
InChIKeyBXSDJRDSODOIIH-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
2-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylphenol;hydrochloride
CID 141037088
4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 141037067
1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
CID 82264703
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812
3-(2-cyclobutylsulfonylphenyl)propanoic acid
CID 117424665
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
4-(2-bromophenyl)sulfonylpiperidine
CID 11023104

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine (CID 117475097) is 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine is O=S(=O)(c1ccccc1CCN1CCNCC1)C1CC1.
What is the InChIKey of 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine?
The InChIKey is BXSDJRDSODOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,14-5-6-14)15-4-2-1-3-13(15)7-10-17-11-8-16-9-12-17/h1-4,14,16H,5-12H2.
What are the key properties of 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine?
1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine has a molecular weight of 294.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine is sourced from PubChem (CID 117475097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).