1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine

C15H24N2O3S — CID 91824001

IUPAC1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
SMILESCCCCN1CCN(S(=O)(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-4-8-16-9-11-17(12-10-16)21(18,19)15-7-5-6-14(13-15)20-2/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyJTQWJODPBRFLHZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds6

About 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine

1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine (PubChem CID 91824001) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
PubChem CID91824001
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
SMILESCCCCN1CCN(S(=O)(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-4-8-16-9-11-17(12-10-16)21(18,19)15-7-5-6-14(13-15)20-2/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyJTQWJODPBRFLHZ-UHFFFAOYSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine
CID 46102619
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811229
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine (CID 91824001) is 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine is CCCCN1CCN(S(=O)(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine?
The InChIKey is JTQWJODPBRFLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-4-8-16-9-11-17(12-10-16)21(18,19)15-7-5-6-14(13-15)20-2/h5-7,13H,3-4,8-12H2,1-2H3.
What are the key properties of 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine?
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine has a molecular weight of 312.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 91824001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).