ethyl 2,2-dimethyl-4-sulfamoylbutanoate

C8H17NO4S — CID 10775463

IUPACethyl 2,2-dimethyl-4-sulfamoylbutanoate
SMILESCCOC(=O)C(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-4-13-7(10)8(2,3)5-6-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12)
InChIKeyXAZHBYWCBFMIPF-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.25
Rot. Bonds5

About ethyl 2,2-dimethyl-4-sulfamoylbutanoate

ethyl 2,2-dimethyl-4-sulfamoylbutanoate (PubChem CID 10775463) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-4-sulfamoylbutanoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-4-sulfamoylbutanoate
PubChem CID10775463
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Nameethyl 2,2-dimethyl-4-sulfamoylbutanoate
SMILESCCOC(=O)C(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-4-13-7(10)8(2,3)5-6-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12)
InChIKeyXAZHBYWCBFMIPF-UHFFFAOYSA-N
XLogP0.25
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate
CID 155819334
Ethyl 4-(chlorosulfonyl)-2,2-dimethylbutanoate
CID 137951661
3-(Trifluoromethylsulfamoyl)propyl 2,2-dimethylbutanoate
CID 59440505
3-(2,2-Dimethylbutanoyloxy)propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 59503079
3-(Trifluoromethylsulfonylsulfamoyl)propyl 2,2-dimethylbutanoate
CID 59503080
3-(Fluoromethylsulfamoyl)propyl 2,2-dimethylbutanoate
CID 88575500
3-(Fluorosulfonylsulfamoyl)propyl 2-methylbutanoate
CID 161840360
Ethyl 4-fluorosulfonyl-2,2-dimethylbutanoate
CID 165905636
3-Acetoxy-2-isopropyl-1-propanesulfonamide
CID 10489281
Ethyl 5-aminosulfonyl-2,2-dimethylvalerate
CID 10585962
3-Acetoxy-2,2-diethyl-1-propanesulfonamide
CID 10609927
Ethyl 2,2-dimethyl-6-sulfamoylhexanoate
CID 10682195

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-4-sulfamoylbutanoate?
The IUPAC name of ethyl 2,2-dimethyl-4-sulfamoylbutanoate (CID 10775463) is ethyl 2,2-dimethyl-4-sulfamoylbutanoate.
What is the SMILES notation for ethyl 2,2-dimethyl-4-sulfamoylbutanoate?
The canonical SMILES for ethyl 2,2-dimethyl-4-sulfamoylbutanoate is CCOC(=O)C(C)(C)CCS(N)(=O)=O.
What is the InChIKey of ethyl 2,2-dimethyl-4-sulfamoylbutanoate?
The InChIKey is XAZHBYWCBFMIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-4-13-7(10)8(2,3)5-6-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12).
What are the key properties of ethyl 2,2-dimethyl-4-sulfamoylbutanoate?
ethyl 2,2-dimethyl-4-sulfamoylbutanoate has a molecular weight of 223.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-4-sulfamoylbutanoate is sourced from PubChem (CID 10775463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).