methyl 4-[methyl(methylsulfonyl)amino]butanoate

C7H15NO4S — CID 60715375

IUPACmethyl 4-[methyl(methylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-8(13(3,10)11)6-4-5-7(9)12-2/h4-6H2,1-3H3
InChIKeyPKNPJNMLBLKPQM-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.17
Rot. Bonds5

About methyl 4-[methyl(methylsulfonyl)amino]butanoate

methyl 4-[methyl(methylsulfonyl)amino]butanoate (PubChem CID 60715375) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 4-[methyl(methylsulfonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(methylsulfonyl)amino]butanoate
PubChem CID60715375
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemethyl 4-[methyl(methylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-8(13(3,10)11)6-4-5-7(9)12-2/h4-6H2,1-3H3
InChIKeyPKNPJNMLBLKPQM-UHFFFAOYSA-N
XLogP-0.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
Methyl 4-[difluoromethylsulfonyl(methyl)amino]butanoate
CID 61601418
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
Methyl 4-(methanesulfonamido)butanoate
CID 60650290
Methyl 4-[methyl(methylsulfonyl)amino]-3-oxobutanoate
CID 87074616
4-[Ethyl(methylsulfonyl)amino]butanoic acid
CID 39242296
Methyl 4-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]butanoate
CID 55006123
Methyl 4-[(3-ethoxy-3-oxopropyl)sulfonyl-methylamino]butanoate
CID 55006169
Methyl 4-[(2-ethoxy-2-oxoethyl)sulfonyl-methylamino]butanoate
CID 55006171
Methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate
CID 55006218
Methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate
CID 55006219
Methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate
CID 55248694

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(methylsulfonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(methylsulfonyl)amino]butanoate (CID 60715375) is methyl 4-[methyl(methylsulfonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(methylsulfonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(methylsulfonyl)amino]butanoate is COC(=O)CCCN(C)S(C)(=O)=O.
What is the InChIKey of methyl 4-[methyl(methylsulfonyl)amino]butanoate?
The InChIKey is PKNPJNMLBLKPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-8(13(3,10)11)6-4-5-7(9)12-2/h4-6H2,1-3H3.
What are the key properties of methyl 4-[methyl(methylsulfonyl)amino]butanoate?
methyl 4-[methyl(methylsulfonyl)amino]butanoate has a molecular weight of 209.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(methylsulfonyl)amino]butanoate is sourced from PubChem (CID 60715375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).