4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid

C7H15NO6S2 — CID 82839702

IUPAC4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-8(5-3-4-7(9)10)16(13,14)6-15(2,11)12/h3-6H2,1-2H3,(H,9,10)
InChIKeyRMMKYJQFTFCTKH-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.89
Rot. Bonds7

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

4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid (PubChem CID 82839702) has the molecular formula C7H15NO6S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid
PubChem CID82839702
Molecular FormulaC7H15NO6S2
Molecular Weight273.33 g/mol
Exact Mass273.03
IUPAC Name4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-8(5-3-4-7(9)10)16(13,14)6-15(2,11)12/h3-6H2,1-2H3,(H,9,10)
InChIKeyRMMKYJQFTFCTKH-UHFFFAOYSA-N
XLogP-0.89
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[Difluoromethylsulfonyl(methyl)amino]butanoic acid
CID 43151883
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
4-[Bis(methylsulfonyl)amino]butanoic acid;hydrochloride
CID 87416420
2-Methyl-4-[methyl(methylsulfonyl)amino]butanoic acid
CID 145290806
4-[Ethyl(methylsulfonyl)amino]butanoic acid
CID 39242296
4-[Methyl(2-methylsulfonylethylsulfonyl)amino]butanoic acid
CID 63244952
4-[2-Carboxyethyl(methylsulfonyl)amino]butanoic acid
CID 82326350
2-[1-(Methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 82839170
4-[Methylsulfonylmethylsulfonyl(propan-2-yl)amino]butanoic acid
CID 82839470
4-(Methylsulfonylmethylsulfonylamino)butanoic acid
CID 82839583
3-[Methyl(methylsulfonylmethylsulfonyl)amino]propanoic acid
CID 82839913

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid (CID 82839702) is 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid?
The InChIKey is RMMKYJQFTFCTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO6S2/c1-8(5-3-4-7(9)10)16(13,14)6-15(2,11)12/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid?
4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonylmethylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 82839702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).