(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine

C14H22N2O2S — CID 166595425

IUPAC(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine
SMILESCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](C)CN1
InChIInChI=1S/C14H22N2O2S/c1-4-13-10-16(12(3)9-15-13)19(17,18)14-7-5-11(2)6-8-14/h5-8,12-13,15H,4,9-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyHOFBRPQRJMGGTI-QWHCGFSZSA-N
MW282.41 g/mol
LogP1.76
Rot. Bonds3

About (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine

(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine (PubChem CID 166595425) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine
PubChem CID166595425
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine
SMILESCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](C)CN1
InChIInChI=1S/C14H22N2O2S/c1-4-13-10-16(12(3)9-15-13)19(17,18)14-7-5-11(2)6-8-14/h5-8,12-13,15H,4,9-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyHOFBRPQRJMGGTI-QWHCGFSZSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
CID 64978780
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 64979716
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978296
(2R)-2-[(2S)-butan-2-yl]-1-(4-methylphenyl)sulfonylaziridine
CID 59088200
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine (CID 166595425) is (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine is CC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](C)CN1.
What is the InChIKey of (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is HOFBRPQRJMGGTI-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-13-10-16(12(3)9-15-13)19(17,18)14-7-5-11(2)6-8-14/h5-8,12-13,15H,4,9-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine?
(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 166595425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).