3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid

C11H24N2O4S — CID 54926020

IUPAC3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid
SMILESCCCCN(C)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-6-8-12(4)18(16,17)13(10(2)3)9-7-11(14)15/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyYNFFYPGFWRJWAH-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.15
Rot. Bonds9

About 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid

3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid (PubChem CID 54926020) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid
PubChem CID54926020
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid
SMILESCCCCN(C)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-6-8-12(4)18(16,17)13(10(2)3)9-7-11(14)15/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyYNFFYPGFWRJWAH-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Methyl-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684172
3-[Methyl-[pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684953
3-[[Butyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65685920
3-[Methyl-[propyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65685922
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
3-[3-(Dimethylamino)propyl-sulfinoamino]propanoic acid
CID 23563888
3-[Dimethylsulfamoyl(methyl)amino]propanoic acid
CID 39242626
N-(Dimethylsulfamoyl)-N-ethyl-beta-alanine
CID 39246267
3-(Dipropylsulfamoylamino)propanoic acid
CID 43169479
3-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43351241

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid (CID 54926020) is 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid is CCCCN(C)S(=O)(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid?
The InChIKey is YNFFYPGFWRJWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-6-8-12(4)18(16,17)13(10(2)3)9-7-11(14)15/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid?
3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 54926020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).