benzyl 4-ethenylsulfonylpiperazine-1-carboxylate

C14H18N2O4S — CID 66698098

IUPACbenzyl 4-ethenylsulfonylpiperazine-1-carboxylate
SMILESC=CS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H18N2O4S/c1-2-21(18,19)16-10-8-15(9-11-16)14(17)20-12-13-6-4-3-5-7-13/h2-7H,1,8-12H2
InChIKeyKZTJZXMHRNWSRC-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.41
Rot. Bonds4

About benzyl 4-ethenylsulfonylpiperazine-1-carboxylate

benzyl 4-ethenylsulfonylpiperazine-1-carboxylate (PubChem CID 66698098) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is benzyl 4-ethenylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-ethenylsulfonylpiperazine-1-carboxylate
PubChem CID66698098
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Namebenzyl 4-ethenylsulfonylpiperazine-1-carboxylate
SMILESC=CS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H18N2O4S/c1-2-21(18,19)16-10-8-15(9-11-16)14(17)20-12-13-6-4-3-5-7-13/h2-7H,1,8-12H2
InChIKeyKZTJZXMHRNWSRC-UHFFFAOYSA-N
XLogP1.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-ethenylsulfonylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-ethenylsulfonylpiperazine-1-carboxylate (CID 66698098) is benzyl 4-ethenylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-ethenylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-ethenylsulfonylpiperazine-1-carboxylate is C=CS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-ethenylsulfonylpiperazine-1-carboxylate?
The InChIKey is KZTJZXMHRNWSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-21(18,19)16-10-8-15(9-11-16)14(17)20-12-13-6-4-3-5-7-13/h2-7H,1,8-12H2.
What are the key properties of benzyl 4-ethenylsulfonylpiperazine-1-carboxylate?
benzyl 4-ethenylsulfonylpiperazine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-ethenylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 66698098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).