1-(4-ethylphenyl)sulfonyl-3-methylpiperazine

C13H20N2O2S — CID 65449390

IUPAC1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-12-4-6-13(7-5-12)18(16,17)15-9-8-14-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyZXYFCSYIRQKYCM-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.23
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine

1-(4-ethylphenyl)sulfonyl-3-methylpiperazine (PubChem CID 65449390) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
PubChem CID65449390
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-12-4-6-13(7-5-12)18(16,17)15-9-8-14-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyZXYFCSYIRQKYCM-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 59152114
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
CID 120710396
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
CID 120710435

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine (CID 65449390) is 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine is CCc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine?
The InChIKey is ZXYFCSYIRQKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-12-4-6-13(7-5-12)18(16,17)15-9-8-14-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine?
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 65449390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).