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

C14H22N2O4S — CID 69244104

IUPACtert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,3)20-13(17)15-10-11-6-8-12(9-7-11)21(18,19)16(4)5/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyJYIDRLGBBDQXIR-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.96
Rot. Bonds4

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

tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate (PubChem CID 69244104) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
PubChem CID69244104
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nametert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,3)20-13(17)15-10-11-6-8-12(9-7-11)21(18,19)16(4)5/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyJYIDRLGBBDQXIR-UHFFFAOYSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-(benzenesulfonyl)phenyl]methyl]carbamate
CID 146037486
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl methanesulfonate
CID 15408661
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl N-[2-[[4-(dimethylsulfamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]carbamate
CID 123407065
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl 3-[[N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465346
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
CID 54483858
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate (CID 69244104) is tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate is CN(C)S(=O)(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate?
The InChIKey is JYIDRLGBBDQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,3)20-13(17)15-10-11-6-8-12(9-7-11)21(18,19)16(4)5/h6-9H,10H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate has a molecular weight of 314.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 69244104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).