2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid

C9H20N2O4S — CID 61263581

IUPAC2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-6-7-11(4)16(14,15)10-9(2,3)8(12)13/h10H,5-7H2,1-4H3,(H,12,13)
InChIKeyYLMDTFWXMMFWRD-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.42
Rot. Bonds7

About 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid

2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid (PubChem CID 61263581) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
PubChem CID61263581
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-6-7-11(4)16(14,15)10-9(2,3)8(12)13/h10H,5-7H2,1-4H3,(H,12,13)
InChIKeyYLMDTFWXMMFWRD-UHFFFAOYSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792489
2-[[Butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792679
2-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891136
2-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891187
2-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891320
2-(Dibutylsulfamoylamino)propanoic acid
CID 87891794
2-Methyl-2-[3-methylbutyl(sulfamoyl)amino]propanoic acid
CID 88339922
2-Methyl-2-(2-methylpropylsulfamoylamino)propanoic acid
CID 88340012
2-Methyl-2-[2-methylpropyl(sulfamoyl)amino]propanoic acid
CID 88340624
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
2-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43361296
2-(Dipropylsulfamoylamino)propanoic acid
CID 43361300

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid (CID 61263581) is 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid is CCCCN(C)S(=O)(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
The InChIKey is YLMDTFWXMMFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-5-6-7-11(4)16(14,15)10-9(2,3)8(12)13/h10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61263581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).