2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid

C11H23N3O5S — CID 106341239

IUPAC2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C11H23N3O5S/c1-8(2)9(10(15)16)7-13-11(17)12-5-6-20(18,19)14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeyKUEBWBLSWPOVII-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.47
Rot. Bonds8

About 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid

2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid (PubChem CID 106341239) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
PubChem CID106341239
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC Name2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C11H23N3O5S/c1-8(2)9(10(15)16)7-13-11(17)12-5-6-20(18,19)14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeyKUEBWBLSWPOVII-UHFFFAOYSA-N
XLogP-0.47
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 106341404
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
CID 106341409
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 114175825
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
2-[(2,2-dimethylpropylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65223478
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
CID 106341273
3-methyl-2-[(1-methylsulfonylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65224210

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid (CID 106341239) is 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid?
The InChIKey is KUEBWBLSWPOVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-8(2)9(10(15)16)7-13-11(17)12-5-6-20(18,19)14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid?
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid has a molecular weight of 309.39 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 106341239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).