(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate

C11H15NO4S — CID 16589

IUPAC(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(S(C)(=O)=O)c(C)c1
InChIInChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)
InChIKeyRJBJMKAMQIOAML-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.43
Rot. Bonds2

About (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate

(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate (PubChem CID 16589) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate
PubChem CID16589
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(S(C)(=O)=O)c(C)c1
InChIInChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)
InChIKeyRJBJMKAMQIOAML-UHFFFAOYSA-N
XLogP1.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methiocarb
CID 16248
Methiocarb sulfoxide
CID 17521
4-(Methylthio)-m-tolyl methylcarbamate
CID 19106
Phenol, 2-((ethylsulfonyl)methyl)-, methylcarbamate
CID 119490
Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester
CID 26606
Carbamic acid, acetylmethyl-, 4-(methylthio)-3,5-xylyl ester
CID 75482
N-Me-4-Me sulfonylphenylcarbamate
CID 12771050
(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate
CID 14054370
Methiocarb-d3
CID 117065427
Methylthio-3,5-xylyl methylcarbamate
CID 129776715
(3-methyl-4-methylsulfanylphenyl) N-ethylcarbamate
CID 76309295
N-{[3,5-dimethyl-4-(methylthio)phenoxy]carbonyl}-beta-alanine
CID 10564923

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate?
The IUPAC name of (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate (CID 16589) is (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate.
What is the SMILES notation for (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate?
The canonical SMILES for (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C)c(S(C)(=O)=O)c(C)c1.
What is the InChIKey of (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate?
The InChIKey is RJBJMKAMQIOAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13).
What are the key properties of (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate?
(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate has a molecular weight of 257.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate is sourced from PubChem (CID 16589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).