methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate

C10H14N2O4S — CID 827568

IUPACmethyl N-[4-(dimethylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H14N2O4S/c1-12(2)17(14,15)9-6-4-8(5-7-9)11-10(13)16-3/h4-7H,1-3H3,(H,11,13)
InChIKeyJCYLWMVGMKGZBY-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.12
Rot. Bonds3

About methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate

methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate (PubChem CID 827568) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(dimethylsulfamoyl)phenyl]carbamate
PubChem CID827568
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl N-[4-(dimethylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H14N2O4S/c1-12(2)17(14,15)9-6-4-8(5-7-9)11-10(13)16-3/h4-7H,1-3H3,(H,11,13)
InChIKeyJCYLWMVGMKGZBY-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate (CID 827568) is methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate?
The InChIKey is JCYLWMVGMKGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-12(2)17(14,15)9-6-4-8(5-7-9)11-10(13)16-3/h4-7H,1-3H3,(H,11,13).
What are the key properties of methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate?
methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate has a molecular weight of 258.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 827568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).