methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate

C16H24N2O5S — CID 110818580

IUPACmethyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(OC)c(C)c2C)CC1
InChIInChI=1S/C16H24N2O5S/c1-11-10-14(12(2)13(3)15(11)22-4)24(20,21)18-8-6-17(7-9-18)16(19)23-5/h10H,6-9H2,1-5H3
InChIKeyMAOXGRBGXWDUPW-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.69
Rot. Bonds3

About methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate

methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 110818580) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID110818580
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Namemethyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(OC)c(C)c2C)CC1
InChIInChI=1S/C16H24N2O5S/c1-11-10-14(12(2)13(3)15(11)22-4)24(20,21)18-8-6-17(7-9-18)16(19)23-5/h10H,6-9H2,1-5H3
InChIKeyMAOXGRBGXWDUPW-UHFFFAOYSA-N
XLogP1.69
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
methyl 4-(5-amino-2-chlorophenyl)sulfonylpiperazine-1-carboxylate
CID 61125849
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
1-[4-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817376
methyl 4-(2-amino-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 61125659
methyl 4-(benzenesulfonyl)-1,4-diazepane-1-carboxylate
CID 60575119
(4-methoxy-2,3,5-trimethylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809910
methyl 4-(3-tert-butyl-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818549

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate (CID 110818580) is methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate is COC(=O)N1CCN(S(=O)(=O)c2cc(C)c(OC)c(C)c2C)CC1.
What is the InChIKey of methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is MAOXGRBGXWDUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-11-10-14(12(2)13(3)15(11)22-4)24(20,21)18-8-6-17(7-9-18)16(19)23-5/h10H,6-9H2,1-5H3.
What are the key properties of methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate?
methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 356.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 110818580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).