[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate

C13H20N2O4S — CID 172722020

IUPAC[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)11(8-19-12(14)16)9-4-6-10(7-5-9)20(15,17)18/h4-7,11H,8H2,1-3H3,(H2,14,16)(H2,15,17,18)
InChIKeyGQIMUFKJOFJCGJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.56
Rot. Bonds4

About [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate

[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate (PubChem CID 172722020) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate.

Molecular Properties

Compound Name[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate
PubChem CID172722020
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)11(8-19-12(14)16)9-4-6-10(7-5-9)20(15,17)18/h4-7,11H,8H2,1-3H3,(H2,14,16)(H2,15,17,18)
InChIKeyGQIMUFKJOFJCGJ-UHFFFAOYSA-N
XLogP1.56
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride
CID 166644392
2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate
CID 94033199
3-carbamoyloxy-2-(4-ethylsulfonylphenyl)propanoic acid
CID 156774002
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
CID 63201446
4-(1-aminooxy-2,2-dimethylbutyl)benzenesulfonamide
CID 67966709
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate
CID 67826417
ethane;1-(4-sulfamoylphenyl)ethyl acetate
CID 143172857
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 40741883

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate?
The IUPAC name of [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate (CID 172722020) is [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate.
What is the SMILES notation for [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate?
The canonical SMILES for [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate is CC(C)(C)C(COC(N)=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate?
The InChIKey is GQIMUFKJOFJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2,3)11(8-19-12(14)16)9-4-6-10(7-5-9)20(15,17)18/h4-7,11H,8H2,1-3H3,(H2,14,16)(H2,15,17,18).
What are the key properties of [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate?
[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate has a molecular weight of 300.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate is sourced from PubChem (CID 172722020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).