2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid

C8H17NO4S — CID 59634229

IUPAC2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)9(5)14(12,13)8(3,4)7(10)11/h6H,1-5H3,(H,10,11)
InChIKeyXOHXTLFTFJKECP-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.52
Rot. Bonds4

About 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid

2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid (PubChem CID 59634229) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid
PubChem CID59634229
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)9(5)14(12,13)8(3,4)7(10)11/h6H,1-5H3,(H,10,11)
InChIKeyXOHXTLFTFJKECP-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Di(butan-2-yl)sulfamoyl]acetic acid
CID 18988670
2-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 23089081
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495
2-[Tert-butyl(methyl)sulfamoyl]propanoic acid
CID 54048764
2-(Dipropylsulfamoyl)propanoic acid
CID 57944979
2-(Azetidine-1-sulfonyl)-2-methyl-propionic acid
CID 59267979
Ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate
CID 59634203
2-[Butyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 59634323
2-Methyl-2-[methyl(propan-2-yl)amino]sulfanylpropanoic acid
CID 143803358
3-(Diethylsulfamoyl)-2-methylpropanoic acid
CID 24253496
3-(Diethylsulfamoyl)-2,2-dimethylpropanoic acid
CID 24253510
3-[Butyl(methyl)sulfamoyl]propanoic acid
CID 28514234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid (CID 59634229) is 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid is CC(C)N(C)S(=O)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid?
The InChIKey is XOHXTLFTFJKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(2)9(5)14(12,13)8(3,4)7(10)11/h6H,1-5H3,(H,10,11).
What are the key properties of 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid?
2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 59634229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).