ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate

C10H21NO4S — CID 59634203

IUPACethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H21NO4S/c1-7-15-9(12)10(4,5)16(13,14)11(6)8(2)3/h8H,7H2,1-6H3
InChIKeyXCVIPGFZXRLPDW-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.00
Rot. Bonds5

About ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate

ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate (PubChem CID 59634203) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate
PubChem CID59634203
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H21NO4S/c1-7-15-9(12)10(4,5)16(13,14)11(6)8(2)3/h8H,7H2,1-6H3
InChIKeyXCVIPGFZXRLPDW-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Azetidine-1-sulfonyl)-2-methyl-propionic acid ethyl ester
CID 59267897
Ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate
CID 59634193
Ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate
CID 59634219
2-Methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid
CID 59634229
Ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate
CID 59634271
Ethyl 2-(dimethylsulfamoyl)-2-methylpropanoate
CID 59634345
Ethyl 2-methyl-2-(propan-2-ylsulfamoyl)propanoate
CID 59634346
Ethyl 2-[ethoxy(ethyl)sulfamoyl]-2-methylpropanoate
CID 87571776
Propyl 3-(dipropylsulfamoyl)propanoate
CID 90858425
Ethyl 2-methyl-2-[methyl(propan-2-yl)amino]sulfanylpropanoate
CID 143803368
Ethyl 3-(diethylsulfamoyl)propanoate
CID 33737399
Methyl 3-[tert-butylsulfonyl(methyl)amino]propanoate
CID 55248693

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate (CID 59634203) is ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate is CCOC(=O)C(C)(C)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate?
The InChIKey is XCVIPGFZXRLPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-7-15-9(12)10(4,5)16(13,14)11(6)8(2)3/h8H,7H2,1-6H3.
What are the key properties of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate?
ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate has a molecular weight of 251.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 59634203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).