1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine

C16H26N2O4S — CID 113072995

IUPAC1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCCC(C)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C16H26N2O4S/c1-5-13(2)17-8-10-18(11-9-17)23(19,20)16-7-6-14(21-3)12-15(16)22-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyPGKRTUCUYOFGKY-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.81
Rot. Bonds6

About 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine

1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 113072995) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
PubChem CID113072995
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCCC(C)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C16H26N2O4S/c1-5-13(2)17-8-10-18(11-9-17)23(19,20)16-7-6-14(21-3)12-15(16)22-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyPGKRTUCUYOFGKY-UHFFFAOYSA-N
XLogP1.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
1-[4-(2-methoxy-4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817219
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208305
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine (CID 113072995) is 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine is CCC(C)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1.
What is the InChIKey of 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is PGKRTUCUYOFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-13(2)17-8-10-18(11-9-17)23(19,20)16-7-6-14(21-3)12-15(16)22-4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 342.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 113072995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).