3-[fluorosulfonyl(methyl)amino]propanoate

C4H7FNO4S- — CID 140799713

IUPAC3-[fluorosulfonyl(methyl)amino]propanoate
SMILESCN(CCC(=O)[O-])S(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-6(11(5,9)10)3-2-4(7)8/h2-3H2,1H3,(H,7,8)/p-1
InChIKeyLFWNNUVRSZOBER-UHFFFAOYSA-M
MW184.17 g/mol
LogP-1.73
Rot. Bonds4

About 3-[fluorosulfonyl(methyl)amino]propanoate

3-[fluorosulfonyl(methyl)amino]propanoate (PubChem CID 140799713) has the molecular formula C4H7FNO4S- and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-[fluorosulfonyl(methyl)amino]propanoate.

Molecular Properties

Compound Name3-[fluorosulfonyl(methyl)amino]propanoate
PubChem CID140799713
Molecular FormulaC4H7FNO4S-
Molecular Weight184.17 g/mol
Exact Mass184.01
IUPAC Name3-[fluorosulfonyl(methyl)amino]propanoate
SMILESCN(CCC(=O)[O-])S(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-6(11(5,9)10)3-2-4(7)8/h2-3H2,1H3,(H,7,8)/p-1
InChIKeyLFWNNUVRSZOBER-UHFFFAOYSA-M
XLogP-1.73
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 5-(dimethylamino)pentanoate
CID 172641180
3-(dipropylamino)propanoate
CID 23175384
azanium;lithium;butanedioate
CID 18352245
1-O-[2-[fluoromethylsulfonyl(methyl)amino]ethyl] 18-O-[2-[fluorosulfonyl(methyl)amino]ethyl] octadecanedioate
CID 153440029
silver butanoate
CID 14944495
bis(3-(dipropylamino)propanoate);nickel(2+)
CID 88802202
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
lithium 3-[di(tetracosyl)amino]propanoate
CID 101313807
disodium;butanedioate;methanol
CID 160588999
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate
CID 59980072
sodium 3-[methyl-[(E)-oct-4-enoyl]amino]propanoate
CID 102117328

Frequently Asked Questions

What is the IUPAC name of 3-[fluorosulfonyl(methyl)amino]propanoate?
The IUPAC name of 3-[fluorosulfonyl(methyl)amino]propanoate (CID 140799713) is 3-[fluorosulfonyl(methyl)amino]propanoate.
What is the SMILES notation for 3-[fluorosulfonyl(methyl)amino]propanoate?
The canonical SMILES for 3-[fluorosulfonyl(methyl)amino]propanoate is CN(CCC(=O)[O-])S(=O)(=O)F.
What is the InChIKey of 3-[fluorosulfonyl(methyl)amino]propanoate?
The InChIKey is LFWNNUVRSZOBER-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8FNO4S/c1-6(11(5,9)10)3-2-4(7)8/h2-3H2,1H3,(H,7,8)/p-1.
What are the key properties of 3-[fluorosulfonyl(methyl)amino]propanoate?
3-[fluorosulfonyl(methyl)amino]propanoate has a molecular weight of 184.17 g/mol, XLogP of -1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluorosulfonyl(methyl)amino]propanoate is sourced from PubChem (CID 140799713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).