4-[difluoromethylsulfonyl(methyl)amino]butanoic acid

C6H11F2NO4S — CID 43151883

IUPAC4-[difluoromethylsulfonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO4S/c1-9(4-2-3-5(10)11)14(12,13)6(7)8/h6H,2-4H2,1H3,(H,10,11)
InChIKeyLEDJCZHVOPCHAJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.34
Rot. Bonds6

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

4-[difluoromethylsulfonyl(methyl)amino]butanoic acid (PubChem CID 43151883) has the molecular formula C6H11F2NO4S and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[difluoromethylsulfonyl(methyl)amino]butanoic acid
PubChem CID43151883
Molecular FormulaC6H11F2NO4S
Molecular Weight231.22 g/mol
Exact Mass231.04
IUPAC Name4-[difluoromethylsulfonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO4S/c1-9(4-2-3-5(10)11)14(12,13)6(7)8/h6H,2-4H2,1H3,(H,10,11)
InChIKeyLEDJCZHVOPCHAJ-UHFFFAOYSA-N
XLogP0.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Carboxypropyl-fluoro-methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanium
CID 87153880
4-[Methyl(trifluoromethylsulfonyl)amino]butanoic acid
CID 43172920
4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
Methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
4-[Propan-2-yl(trifluoromethylsulfonyl)amino]butanoic acid
CID 60828457
4-[Difluoromethylsulfonyl(propan-2-yl)amino]butanoic acid
CID 60829785
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
3-[Difluoromethylsulfonyl(methyl)amino]propanoic acid
CID 60989446
Methyl 4-[difluoromethylsulfonyl(methyl)amino]butanoate
CID 61601418
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617430
2-[1-(Trifluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64618813
4-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]butanoic acid
CID 65535016

Frequently Asked Questions

What is the IUPAC name of 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid (CID 43151883) is 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)C(F)F.
What is the InChIKey of 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid?
The InChIKey is LEDJCZHVOPCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO4S/c1-9(4-2-3-5(10)11)14(12,13)6(7)8/h6H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid?
4-[difluoromethylsulfonyl(methyl)amino]butanoic acid has a molecular weight of 231.22 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoromethylsulfonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 43151883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).