4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride

C16H25Cl2N3O3S — CID 120765230

IUPAC4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)N2CCNCC2c2ccccc2Cl)CCO1.Cl
InChIInChI=1S/C16H24ClN3O3S.ClH/c1-16(2)12-19(9-10-23-16)24(21,22)20-8-7-18-11-15(20)13-5-3-4-6-14(13)17;/h3-6,15,18H,7-12H2,1-2H3;1H
InChIKeyWPKZPVJZPSRYBK-UHFFFAOYSA-N
MW410.37 g/mol
LogP2.06
Rot. Bonds3

About 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride

4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride (PubChem CID 120765230) has the molecular formula C16H25Cl2N3O3S and a molecular weight of 410.37 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride
PubChem CID120765230
Molecular FormulaC16H25Cl2N3O3S
Molecular Weight410.37 g/mol
Exact Mass409.10
IUPAC Name4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)N2CCNCC2c2ccccc2Cl)CCO1.Cl
InChIInChI=1S/C16H24ClN3O3S.ClH/c1-16(2)12-19(9-10-23-16)24(21,22)20-8-7-18-11-15(20)13-5-3-4-6-14(13)17;/h3-6,15,18H,7-12H2,1-2H3;1H
InChIKeyWPKZPVJZPSRYBK-UHFFFAOYSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
CID 120763328
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120895077
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 120765315
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
CID 120765026
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane
CID 120765027
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
CID 120765122
2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
CID 120757517
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride?
The IUPAC name of 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride (CID 120765230) is 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride?
The canonical SMILES for 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride is CC1(C)CN(S(=O)(=O)N2CCNCC2c2ccccc2Cl)CCO1.Cl.
What is the InChIKey of 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride?
The InChIKey is WPKZPVJZPSRYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S.ClH/c1-16(2)12-19(9-10-23-16)24(21,22)20-8-7-18-11-15(20)13-5-3-4-6-14(13)17;/h3-6,15,18H,7-12H2,1-2H3;1H.
What are the key properties of 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride?
4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride has a molecular weight of 410.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 120765230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).