1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine

C15H24N2O4S2 — CID 110819058

IUPAC1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C15H24N2O4S2/c1-3-4-12-22(18,19)16-8-10-17(11-9-16)23(20,21)15-7-5-6-14(2)13-15/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyLPEBTAUBPRXYHJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.43
Rot. Bonds6

About 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine

1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine (PubChem CID 110819058) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
PubChem CID110819058
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C15H24N2O4S2/c1-3-4-12-22(18,19)16-8-10-17(11-9-16)23(20,21)15-7-5-6-14(2)13-15/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyLPEBTAUBPRXYHJ-UHFFFAOYSA-N
XLogP1.43
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
CID 51170108
(1R,5S)-3-butylsulfonyl-7-(3-methylphenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 91634111
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797265
1-(4-butylsulfonyl-1,4-diazepan-1-yl)-2-(3-methylphenyl)ethanone
CID 110799532
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-pentylsulfonylpiperazine
CID 86937206
4-decylsulfonyl-1-ethyl-1-[(3-methylphenyl)methyl]piperazin-1-ium bromide
CID 87512305
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6464966

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine (CID 110819058) is 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine is CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is LPEBTAUBPRXYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-3-4-12-22(18,19)16-8-10-17(11-9-16)23(20,21)15-7-5-6-14(2)13-15/h5-7,13H,3-4,8-12H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine?
1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 360.50 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110819058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).