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

C13H19NO4S — CID 22660067

IUPACtert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-6-8-11(9-7-10)19(16,17)14(5)12(15)18-13(2,3)4/h6-9H,1-5H3
InChIKeyKUNIOZRLBZBQJU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.55
Rot. Bonds2

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

tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 22660067) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
PubChem CID22660067
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nametert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-6-8-11(9-7-10)19(16,17)14(5)12(15)18-13(2,3)4/h6-9H,1-5H3
InChIKeyKUNIOZRLBZBQJU-UHFFFAOYSA-N
XLogP2.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate (CID 22660067) is tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is KUNIOZRLBZBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-6-8-11(9-7-10)19(16,17)14(5)12(15)18-13(2,3)4/h6-9H,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 285.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 22660067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).