4-[methyl(propylsulfonyl)amino]butanoic acid

C8H17NO4S — CID 39245746

IUPAC4-[methyl(propylsulfonyl)amino]butanoic acid
SMILESCCCS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-7-14(12,13)9(2)6-4-5-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyXHQFYHIQTAKEQM-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.52
Rot. Bonds7

About 4-[methyl(propylsulfonyl)amino]butanoic acid

4-[methyl(propylsulfonyl)amino]butanoic acid (PubChem CID 39245746) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[methyl(propylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(propylsulfonyl)amino]butanoic acid
PubChem CID39245746
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-[methyl(propylsulfonyl)amino]butanoic acid
SMILESCCCS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-7-14(12,13)9(2)6-4-5-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyXHQFYHIQTAKEQM-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952152
4-[Propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83067801
4-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83068099
4-(Butane-1-sulfonamido)butanoic acid
CID 16768947
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495
2-Isothiazolidinebutanoic acid, 1,1-dioxide
CID 24688850
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(propylsulfonyl)amino]butanoic acid (CID 39245746) is 4-[methyl(propylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(propylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(propylsulfonyl)amino]butanoic acid is CCCS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(propylsulfonyl)amino]butanoic acid?
The InChIKey is XHQFYHIQTAKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-7-14(12,13)9(2)6-4-5-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 4-[methyl(propylsulfonyl)amino]butanoic acid?
4-[methyl(propylsulfonyl)amino]butanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 39245746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).