(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate

C14H21NO3S — CID 11208352

IUPAC(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(OC)cc(C)cc1SC
InChIInChI=1S/C14H21NO3S/c1-6-15(7-2)14(16)18-13-11(17-4)8-10(3)9-12(13)19-5/h8-9H,6-7H2,1-5H3
InChIKeyXLFDOVOQYQGIBI-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.57
Rot. Bonds5

About (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate

(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate (PubChem CID 11208352) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate
PubChem CID11208352
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(OC)cc(C)cc1SC
InChIInChI=1S/C14H21NO3S/c1-6-15(7-2)14(16)18-13-11(17-4)8-10(3)9-12(13)19-5/h8-9H,6-7H2,1-5H3
InChIKeyXLFDOVOQYQGIBI-UHFFFAOYSA-N
XLogP3.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4,6-trimethylphenyl) N,N-diethylcarbamate
CID 122209777
ethyl (E)-3-[2,3-dichloro-6-(diethylcarbamoyloxy)-5-methoxyphenyl]prop-2-enoate
CID 171486615
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butanoic acid
CID 117429229
(2-formyl-6-iodo-3-methoxyphenyl) N,N-diethylcarbamate
CID 46849284
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
CID 58329180
(2,6-dimethoxy-4-methylphenyl) 2-bromo-3-methoxypropanoate
CID 91079302
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
CID 135067853
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
CID 170746251
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
CID 139919274
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
CID 122517620

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate?
The IUPAC name of (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate (CID 11208352) is (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1c(OC)cc(C)cc1SC.
What is the InChIKey of (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate?
The InChIKey is XLFDOVOQYQGIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-6-15(7-2)14(16)18-13-11(17-4)8-10(3)9-12(13)19-5/h8-9H,6-7H2,1-5H3.
What are the key properties of (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate?
(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate has a molecular weight of 283.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 11208352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).