methyl 2-(cyclopropylsulfamoyl)acetate

C6H11NO4S — CID 64541407

IUPACmethyl 2-(cyclopropylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CC1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)4-12(9,10)7-5-2-3-5/h5,7H,2-4H2,1H3
InChIKeyVBAOCRAHNCYUST-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.76
Rot. Bonds4

About methyl 2-(cyclopropylsulfamoyl)acetate

methyl 2-(cyclopropylsulfamoyl)acetate (PubChem CID 64541407) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is methyl 2-(cyclopropylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylsulfamoyl)acetate
PubChem CID64541407
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namemethyl 2-(cyclopropylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CC1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)4-12(9,10)7-5-2-3-5/h5,7H,2-4H2,1H3
InChIKeyVBAOCRAHNCYUST-UHFFFAOYSA-N
XLogP-0.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclopropylsulfamoyl)acetic acid
CID 28773438
Methyl 3-(cyclopropylsulfamoyl)propanoate
CID 51711452
methyl (2S)-2-(cyclopropylsulfonylamino)propanoate
CID 53315615
Methyl 2-(ethylsulfonylamino)propanoate
CID 14004830
2-(Propan-2-ylsulfamoyl)acetic acid
CID 28773426
2-Amino-3-methoxy-3-oxopropane-1-sulfonate
CID 58300503
N-(ethylsulfonyl)-beta-alanine, methyl ester
CID 60650381
Methyl 2-(ethylsulfamoyl)acetate
CID 61357398
Methyl 2-(propan-2-ylsulfonylamino)propanoate
CID 61502020
Ethyl 2-(propan-2-ylsulfamoyl)acetate
CID 64294995
Methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
2-(Ethylsulfamoyl)ethyl acetate
CID 88607739

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylsulfamoyl)acetate?
The IUPAC name of methyl 2-(cyclopropylsulfamoyl)acetate (CID 64541407) is methyl 2-(cyclopropylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylsulfamoyl)acetate?
The InChIKey is VBAOCRAHNCYUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-11-6(8)4-12(9,10)7-5-2-3-5/h5,7H,2-4H2,1H3.
What are the key properties of methyl 2-(cyclopropylsulfamoyl)acetate?
methyl 2-(cyclopropylsulfamoyl)acetate has a molecular weight of 193.22 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylsulfamoyl)acetate is sourced from PubChem (CID 64541407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).