[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C19H26N2O5S — CID 25162321

IUPAC[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CC3C)CC2)c(C)c1
InChIInChI=1S/C19H26N2O5S/c1-13-4-5-17(15(3)10-13)27(24,25)21-8-6-20(7-9-21)18(22)12-26-19(23)16-11-14(16)2/h4-5,10,14,16H,6-9,11-12H2,1-3H3
InChIKeyPXUZGEKNCGDXRU-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.34
Rot. Bonds5

About [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 25162321) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID25162321
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CC3C)CC2)c(C)c1
InChIInChI=1S/C19H26N2O5S/c1-13-4-5-17(15(3)10-13)27(24,25)21-8-6-20(7-9-21)18(22)12-26-19(23)16-11-14(16)2/h4-5,10,14,16H,6-9,11-12H2,1-3H3
InChIKeyPXUZGEKNCGDXRU-UHFFFAOYSA-N
XLogP1.34
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 25162321) is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CC3C)CC2)c(C)c1.
What is the InChIKey of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is PXUZGEKNCGDXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-4-5-17(15(3)10-13)27(24,25)21-8-6-20(7-9-21)18(22)12-26-19(23)16-11-14(16)2/h4-5,10,14,16H,6-9,11-12H2,1-3H3.
What are the key properties of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 394.49 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 25162321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).