methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate

C9H17NO4S — CID 91756297

IUPACmethyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C9H17NO4S/c1-8(2,3)10-15(12,13)9(5-6-9)7(11)14-4/h10H,5-6H2,1-4H3
InChIKeyLDJOSJZLOUBZDQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.41
Rot. Bonds3

About methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate

methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate (PubChem CID 91756297) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate
PubChem CID91756297
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C9H17NO4S/c1-8(2,3)10-15(12,13)9(5-6-9)7(11)14-4/h10H,5-6H2,1-4H3
InChIKeyLDJOSJZLOUBZDQ-UHFFFAOYSA-N
XLogP0.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanoate
CID 106209134
1-(Tert-butylsulfamoyl)cyclopropane-1-carboxylic acid
CID 69765208
Methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate
CID 90395141
Methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate
CID 146442042
Methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate
CID 54952432
Ethyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate
CID 60284090
Methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate
CID 61457639
Methyl 4-(tert-butylsulfamoyl)butanoate
CID 61457680
Methyl 2-(tert-butylsulfamoyl)propanoate
CID 64590825
Methyl 3-(tert-butylsulfamoyl)propanoate
CID 64591196
Methyl 4-(3-ethylpentan-3-ylsulfamoyl)butanoate
CID 65039588
Methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate
CID 103697727

Frequently Asked Questions

What is the IUPAC name of methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate (CID 91756297) is methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate is COC(=O)C1(S(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate?
The InChIKey is LDJOSJZLOUBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-8(2,3)10-15(12,13)9(5-6-9)7(11)14-4/h10H,5-6H2,1-4H3.
What are the key properties of methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate?
methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate has a molecular weight of 235.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 91756297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).