3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

C8H14N2O4S — CID 164647132

IUPAC3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CC2CC2(C(=O)O)C1
InChIInChI=1S/C8H14N2O4S/c1-9(2)15(13,14)10-4-6-3-8(6,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQMAYEMMUJPFEEA-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.80
Rot. Bonds3

About 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 164647132) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID164647132
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CC2CC2(C(=O)O)C1
InChIInChI=1S/C8H14N2O4S/c1-9(2)15(13,14)10-4-6-3-8(6,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQMAYEMMUJPFEEA-UHFFFAOYSA-N
XLogP-0.80
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-2-[2-methoxyethyl(methyl)sulfamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679601
(3aS,6aR)-2-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679339
3-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 167942988
(3aS,6aR)-2-[4-(dimethylcarbamoyl)phenyl]sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122070842
(1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 167994280
(3aS,6aR)-2-cyclopropylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679585
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 97291630
3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 164660825
(3aS,6aR)-2-(4-fluoro-3,5-dimethylphenyl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679258
(3aS,6aR)-2-butylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679273
3-[5-(dimethylsulfamoyl)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]propanoic acid
CID 138386330
(3aS,6aR)-2-(2-methylpropylsulfonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679642

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 164647132) is 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is CN(C)S(=O)(=O)N1CC2CC2(C(=O)O)C1.
What is the InChIKey of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is QMAYEMMUJPFEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-9(2)15(13,14)10-4-6-3-8(6,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 164647132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).