4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid

C10H22N2O4S — CID 43361577

IUPAC4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-5-8-11(2)17(15,16)12(3)9-6-7-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyLNHWUIOJDZEKEG-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.76
Rot. Bonds9

About 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid

4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid (PubChem CID 43361577) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid
PubChem CID43361577
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-5-8-11(2)17(15,16)12(3)9-6-7-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyLNHWUIOJDZEKEG-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361576
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
3-Carboxypropyl(trimethyl)azanium acetate
CID 87557769
1-Hydroxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 134606557
3-Carboxypropyl(trimethyl)azanium;ethane;propanoic acid
CID 143924190
4-[Methyl(sulfanyl)amino]butanoic acid
CID 170031421
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
4-[Methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
CID 43151879
4-[Methyl(1-piperidinylsulfonyl)amino]butanoic acid
CID 43151881
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid (CID 43361577) is 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid is CCCCN(C)S(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid?
The InChIKey is LNHWUIOJDZEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-5-8-11(2)17(15,16)12(3)9-6-7-10(13)14/h4-9H2,1-3H3,(H,13,14).
What are the key properties of 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid?
4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 43361577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).