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

C10H22N2O4S — CID 65222978

IUPAC2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid
SMILESCCCCN(C)S(=O)(=O)NCC(CC)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-6-7-12(3)17(15,16)11-8-9(5-2)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyCTUYJJRUZPPUDD-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds9

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

2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid (PubChem CID 65222978) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid
PubChem CID65222978
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid
SMILESCCCCN(C)S(=O)(=O)NCC(CC)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-6-7-12(3)17(15,16)11-8-9(5-2)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyCTUYJJRUZPPUDD-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
4-Amino-2-methylbutanoic acid;2-methyl-3-(methylamino)propanoic acid
CID 88371409
3-(Dipropylsulfamoylamino)propanoic acid
CID 43169479
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
3-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43351241
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
2-(Dipropylsulfamoylamino)-3-methylbutanoic acid
CID 43361276
3-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361693
3-(Dipropylsulfamoylamino)butanoic acid
CID 43361697
3-[[Butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
CID 55007438

Frequently Asked Questions

What is the IUPAC name of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid (CID 65222978) is 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid is CCCCN(C)S(=O)(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid?
The InChIKey is CTUYJJRUZPPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-6-7-12(3)17(15,16)11-8-9(5-2)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid?
2-[[[butyl(methyl)sulfamoyl]amino]methyl]butanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 9 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]methyl]butanoic acid is sourced from PubChem (CID 65222978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).