1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine

C14H22N2O3S — CID 43362237

IUPAC1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
SMILESCC(C)COc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-12(2)11-19-13-3-5-14(6-4-13)20(17,18)16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyTVWQTBQPIHOISR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.32
Rot. Bonds5

About 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine

1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine (PubChem CID 43362237) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
PubChem CID43362237
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
SMILESCC(C)COc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-12(2)11-19-13-3-5-14(6-4-13)20(17,18)16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyTVWQTBQPIHOISR-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide
CID 84760719
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine
CID 119961769
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
1-(4-pentoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963409
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963555
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61408929
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine (CID 43362237) is 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine is CC(C)COc1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine?
The InChIKey is TVWQTBQPIHOISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(2)11-19-13-3-5-14(6-4-13)20(17,18)16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine?
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 43362237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).