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

C10H21N3O5S — CID 114175825

IUPAC3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
SMILESCC(NC(=O)NCCS(=O)(=O)N(C)C)C(C)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-7(9(14)15)8(2)12-10(16)11-5-6-19(17,18)13(3)4/h7-8H,5-6H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeySSRBIRVRBLFQMM-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.71
Rot. Bonds7

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

3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid (PubChem CID 114175825) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
PubChem CID114175825
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
SMILESCC(NC(=O)NCCS(=O)(=O)N(C)C)C(C)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-7(9(14)15)8(2)12-10(16)11-5-6-19(17,18)13(3)4/h7-8H,5-6H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeySSRBIRVRBLFQMM-UHFFFAOYSA-N
XLogP-0.71
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 106341239
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 106341404
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
CID 106341273
3-[3-(methanesulfonamido)propylcarbamoylamino]-2-methylbutanoic acid
CID 106340277
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
CID 106341409
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
3-(3-butoxypropylcarbamoylamino)-2-methylbutanoic acid
CID 113481173

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid (CID 114175825) is 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid is CC(NC(=O)NCCS(=O)(=O)N(C)C)C(C)C(=O)O.
What is the InChIKey of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid?
The InChIKey is SSRBIRVRBLFQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-7(9(14)15)8(2)12-10(16)11-5-6-19(17,18)13(3)4/h7-8H,5-6H2,1-4H3,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid?
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 114175825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).