methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate

C7H15NO4S — CID 60865310

IUPACmethyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-6(2)13(10,11)8(3)5-7(9)12-4/h6H,5H2,1-4H3
InChIKeyNLUSPZSFYZEENV-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.17
Rot. Bonds4

About methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate

methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate (PubChem CID 60865310) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
PubChem CID60865310
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-6(2)13(10,11)8(3)5-7(9)12-4/h6H,5H2,1-4H3
InChIKeyNLUSPZSFYZEENV-UHFFFAOYSA-N
XLogP-0.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

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N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
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methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
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methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate
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methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
CID 103734576
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate
CID 61074091
methyl 2-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]acetate
CID 43507226
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
methyl 2-[bis(1-hydroxyethyl)amino]acetate
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methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
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dimethyl propanedioate;methanesulfonic acid
CID 172769091

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate (CID 60865310) is methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate is COC(=O)CN(C)S(=O)(=O)C(C)C.
What is the InChIKey of methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate?
The InChIKey is NLUSPZSFYZEENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(2)13(10,11)8(3)5-7(9)12-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate?
methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate has a molecular weight of 209.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 60865310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).