1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium

C15H25N2O2S+ — CID 7406129

IUPAC1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-11-10-12(2)14(4)15(13(11)3)20(18,19)17-8-6-16(5)7-9-17/h10H,6-9H2,1-5H3/p+1
InChIKeyQEOPBVQDPXFSQF-UHFFFAOYSA-O
MW297.44 g/mol
LogP0.44
Rot. Bonds2

About 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium

1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium (PubChem CID 7406129) has the molecular formula C15H25N2O2S+ and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
PubChem CID7406129
Molecular FormulaC15H25N2O2S+
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC Name1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-11-10-12(2)14(4)15(13(11)3)20(18,19)17-8-6-16(5)7-9-17/h10H,6-9H2,1-5H3/p+1
InChIKeyQEOPBVQDPXFSQF-UHFFFAOYSA-O
XLogP0.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
CID 81097436
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8688752
1-(5-bromothiophen-2-yl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684961
N-ethyl-2-[[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8688792
3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106504815
5-methyl-4-propan-2-yl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol
CID 2502899
1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
CID 8747738

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium (CID 7406129) is 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium is Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1C.
What is the InChIKey of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium?
The InChIKey is QEOPBVQDPXFSQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O2S/c1-11-10-12(2)14(4)15(13(11)3)20(18,19)17-8-6-16(5)7-9-17/h10H,6-9H2,1-5H3/p+1.
What are the key properties of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium?
1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium has a molecular weight of 297.44 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 7406129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).