3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride

C15H25ClN2O2S — CID 119980534

IUPAC3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC(C)N1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-11(2)14-5-7-15(8-6-14)20(18,19)17-9-12(3)16-13(4)10-17;/h5-8,11-13,16H,9-10H2,1-4H3;1H
InChIKeyDTHYYYTWSZEJOM-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.60
Rot. Bonds3

About 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride

3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119980534) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID119980534
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC(C)N1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-11(2)14-5-7-15(8-6-14)20(18,19)17-9-12(3)16-13(4)10-17;/h5-8,11-13,16H,9-10H2,1-4H3;1H
InChIKeyDTHYYYTWSZEJOM-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583
4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119980481
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 63872528
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
1-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride (CID 119980534) is 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC(C)N1.Cl.
What is the InChIKey of 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is DTHYYYTWSZEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-11(2)14-5-7-15(8-6-14)20(18,19)17-9-12(3)16-13(4)10-17;/h5-8,11-13,16H,9-10H2,1-4H3;1H.
What are the key properties of 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride?
3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119980534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).