methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate

C10H13NO4S — CID 562882

IUPACmethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
SMILESCOC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO4S/c1-8-4-6-9(7-5-8)16(13,14)11(2)10(12)15-3/h4-7H,1-3H3
InChIKeyHNFZTGPTWQRQQX-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.38
Rot. Bonds2

About methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate

methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 562882) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
PubChem CID562882
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
SMILESCOC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO4S/c1-8-4-6-9(7-5-8)16(13,14)11(2)10(12)15-3/h4-7H,1-3H3
InChIKeyHNFZTGPTWQRQQX-UHFFFAOYSA-N
XLogP1.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate (CID 562882) is methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate is COC(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is HNFZTGPTWQRQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8-4-6-9(7-5-8)16(13,14)11(2)10(12)15-3/h4-7H,1-3H3.
What are the key properties of methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 243.28 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 N-methyl-N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 562882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).