methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate

C14H20N2O4S — CID 110818495

IUPACmethyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C14H20N2O4S/c1-11-4-5-13(12(2)10-11)21(18,19)16-8-6-15(7-9-16)14(17)20-3/h4-5,10H,6-9H2,1-3H3
InChIKeyHFNUYTLXGTYDHL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.38
Rot. Bonds2

About methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate

methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 110818495) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID110818495
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C14H20N2O4S/c1-11-4-5-13(12(2)10-11)21(18,19)16-8-6-15(7-9-16)14(17)20-3/h4-5,10H,6-9H2,1-3H3
InChIKeyHFNUYTLXGTYDHL-UHFFFAOYSA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-propoxyethanone
CID 48651964
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 46508723
methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818580
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 17470269
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
ethyl 4-(2-bromo-4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 55565612

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate (CID 110818495) is methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate is COC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is HFNUYTLXGTYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-4-5-13(12(2)10-11)21(18,19)16-8-6-15(7-9-16)14(17)20-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 110818495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).