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

C14H22N2O2S — CID 82249423

IUPAC1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(2)10-13-11-15-8-9-16(13)19(17,18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyXSFDMWMWGDOCSO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.70
Rot. Bonds4

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

1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine (PubChem CID 82249423) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine
PubChem CID82249423
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(2)10-13-11-15-8-9-16(13)19(17,18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyXSFDMWMWGDOCSO-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82251756
(2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine
CID 154927789
2-benzyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 74955238
1-(4-bromophenyl)sulfonyl-2-propylpiperazine
CID 164863546
(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120717091
(2R)-2-benzyl-1-methylsulfonylpiperazine
CID 94990746
2-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 45072806
(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
3-(benzenesulfonyl)-5,5-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine
CID 163924783
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
3-[(2S)-2-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 45072796

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine (CID 82249423) is 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine is CC(C)CC1CNCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine?
The InChIKey is XSFDMWMWGDOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(2)10-13-11-15-8-9-16(13)19(17,18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine?
1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine has a molecular weight of 282.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 82249423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).