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

C9H20N2O4S — CID 43361693

IUPAC3-[[butyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-6-11(3)16(14,15)10-8(2)7-9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyRWSUJGUDAQZQAW-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.42
Rot. Bonds8

About 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid

3-[[butyl(methyl)sulfamoyl]amino]butanoic acid (PubChem CID 43361693) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]amino]butanoic acid
PubChem CID43361693
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[[butyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-6-11(3)16(14,15)10-8(2)7-9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyRWSUJGUDAQZQAW-UHFFFAOYSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 113636771
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
2-(Dibutylsulfamoylamino)propanoic acid
CID 87891794
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
CID 160197560
CID 160197560
3-(Dimethylamino)butanoic acid;3-(methylamino)butanoic acid
CID 161998274
3-(Ethylsulfamoylamino)-4-(trimethylazaniumyl)butanoate
CID 174248695
3-(Dipropylsulfamoylamino)propanoic acid
CID 43169479
3-(Dimethylsulfamoylamino)butanoic acid
CID 43172100
3-(Diethylsulfamoylamino)butanoic acid
CID 43172102
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid (CID 43361693) is 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid is CCCCN(C)S(=O)(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
The InChIKey is RWSUJGUDAQZQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-5-6-11(3)16(14,15)10-8(2)7-9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
3-[[butyl(methyl)sulfamoyl]amino]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 43361693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).