1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride

C15H23ClN2O2S — CID 120765370

IUPAC1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)C2CC2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-2-12-3-5-13(6-4-12)15-11-16-9-10-17(15)20(18,19)14-7-8-14;/h3-6,14-16H,2,7-11H2,1H3;1H
InChIKeyJYBKHYVPEZBSKZ-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.11
Rot. Bonds4

About 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride

1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride (PubChem CID 120765370) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
PubChem CID120765370
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)C2CC2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-2-12-3-5-13(6-4-12)15-11-16-9-10-17(15)20(18,19)14-7-8-14;/h3-6,14-16H,2,7-11H2,1H3;1H
InChIKeyJYBKHYVPEZBSKZ-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-but-3-enylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765493
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 120765584
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765523
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
CID 120765362
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-3,5-difluorobenzonitrile
CID 120765606
ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 120765458
2-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876816
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740036
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylpyridine-2-carboxylate;hydrochloride
CID 120765525

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride (CID 120765370) is 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride is CCc1ccc(C2CNCCN2S(=O)(=O)C2CC2)cc1.Cl.
What is the InChIKey of 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride?
The InChIKey is JYBKHYVPEZBSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-2-12-3-5-13(6-4-12)15-11-16-9-10-17(15)20(18,19)14-7-8-14;/h3-6,14-16H,2,7-11H2,1H3;1H.
What are the key properties of 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride?
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120765370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).