methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate

C7H13NO4S — CID 146442156

IUPACmethyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C7H13NO4S/c1-8(2)13(10,11)7(4-5-7)6(9)12-3/h4-5H2,1-3H3
InChIKeyZEPWVKPYDYNRFU-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.42
Rot. Bonds3

About methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate

methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate (PubChem CID 146442156) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate
PubChem CID146442156
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Namemethyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C7H13NO4S/c1-8(2)13(10,11)7(4-5-7)6(9)12-3/h4-5H2,1-3H3
InChIKeyZEPWVKPYDYNRFU-UHFFFAOYSA-N
XLogP-0.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-sulfamoylcyclopropane-1-carboxylate
CID 57695086
Methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
CID 146441803
Methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate
CID 146442042
Methyl 4-(dimethylsulfamoyl)butanoate
CID 33737553
1-(Dimethylsulfamoyl)cyclopropane-1-carboxylic acid
CID 115019358

Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate (CID 146442156) is methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate is COC(=O)C1(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate?
The InChIKey is ZEPWVKPYDYNRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-8(2)13(10,11)7(4-5-7)6(9)12-3/h4-5H2,1-3H3.
What are the key properties of methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate?
methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate has a molecular weight of 207.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 146442156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).