1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine

C15H24N2O2S — CID 82251756

IUPAC1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-12(2)9-14-10-16-13(3)11-17(14)20(18,19)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3
InChIKeyMNCWTMNFJPENGN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.08
Rot. Bonds4

About 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine

1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 82251756) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID82251756
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-12(2)9-14-10-16-13(3)11-17(14)20(18,19)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3
InChIKeyMNCWTMNFJPENGN-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine
CID 82249423
2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 64979716
(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine
CID 82251755
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine
CID 163924783
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine
CID 7368706
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine (CID 82251756) is 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is MNCWTMNFJPENGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(2)9-14-10-16-13(3)11-17(14)20(18,19)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3.
What are the key properties of 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine?
1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 296.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 82251756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).