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

C11H15NO3S — CID 17521

IUPAC(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1
InChIInChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKeyFNCMBMZOZQAWJA-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.76
Rot. Bonds2

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

(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate (PubChem CID 17521) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
PubChem CID17521
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1
InChIInChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKeyFNCMBMZOZQAWJA-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
(3-tert-butyl-5-methylphenyl) N-methylcarbamate
CID 23274278
1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene
CID 14433886
[4-(2,5-dimethylpyrrol-1-yl)-3-methylphenyl] N-methylcarbamate
CID 134111730
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 142031246
[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
CID 154515716
(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid
CID 70213575
[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate
CID 117060207
(4-amino-3,5-dimethylphenyl) N-prop-2-ynylcarbamate
CID 174591659
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate?
The IUPAC name of (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate (CID 17521) is (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate.
What is the SMILES notation for (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate?
The canonical SMILES for (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1.
What is the InChIKey of (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate?
The InChIKey is FNCMBMZOZQAWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13).
What are the key properties of (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate?
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate has a molecular weight of 241.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate is sourced from PubChem (CID 17521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).