1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine

C17H28N2O3S — CID 71189179

IUPAC1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-4-15(2)16-5-7-17(8-6-16)23(20,21)19-11-9-18(10-12-19)13-14-22-3/h5-8,15H,4,9-14H2,1-3H3
InChIKeySYZCHLCIEAAXAO-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.15
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine

1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine (PubChem CID 71189179) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine
PubChem CID71189179
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-4-15(2)16-5-7-17(8-6-16)23(20,21)19-11-9-18(10-12-19)13-14-22-3/h5-8,15H,4,9-14H2,1-3H3
InChIKeySYZCHLCIEAAXAO-UHFFFAOYSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
3-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide
CID 43011312
(2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]propanenitrile
CID 9288969
[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060359
(2S)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 9439886
4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55472136
1-(4-tert-butylphenyl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073446
[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963645
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 51245978

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine (CID 71189179) is 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine is CCC(C)c1ccc(S(=O)(=O)N2CCN(CCOC)CC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine?
The InChIKey is SYZCHLCIEAAXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-4-15(2)16-5-7-17(8-6-16)23(20,21)19-11-9-18(10-12-19)13-14-22-3/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine?
1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine has a molecular weight of 340.49 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 71189179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).