1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine

C19H32N2O2S — CID 1108305

IUPAC1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCNCC2)c(C(C)C)c1
InChIInChI=1S/C19H32N2O2S/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)24(22,23)21-9-7-20-8-10-21/h11-15,20H,7-10H2,1-6H3
InChIKeyPIWCYTFXNRMRDW-UHFFFAOYSA-N
MW352.54 g/mol
LogP3.65
Rot. Bonds5

About 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine

1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine (PubChem CID 1108305) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
PubChem CID1108305
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCNCC2)c(C(C)C)c1
InChIInChI=1S/C19H32N2O2S/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)24(22,23)21-9-7-20-8-10-21/h11-15,20H,7-10H2,1-6H3
InChIKeyPIWCYTFXNRMRDW-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
2,4,6-trimethyl-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
CID 146627889
2,4,6-trimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]benzenesulfonamide
CID 146627892
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
1-Ethyl-4-(mesitylsulfonyl)piperazine
CID 843242
1-(Mesitylsulfonyl)-4-methylpiperazine
CID 567240
1-[(2,4-Dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 775782
2,4,6-trimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 60449625
4-[(Dimethylamino)sulfonyl]-1-[(2,4-dimethylphenyl)sulfonyl]piperazine
CID 2197124
1-[(4-Propylphenyl)sulfonyl]piperazine
CID 2492743
1-(4-Phenylphenyl)sulfonylpiperazine
CID 4738863
1-[(4-Tert-butylphenyl)sulfonyl]piperazine
CID 2929804

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine (CID 1108305) is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine is CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCNCC2)c(C(C)C)c1.
What is the InChIKey of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine?
The InChIKey is PIWCYTFXNRMRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)24(22,23)21-9-7-20-8-10-21/h11-15,20H,7-10H2,1-6H3.
What are the key properties of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine?
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine has a molecular weight of 352.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 1108305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).