methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate

C6H11NO4S — CID 155819334

IUPACmethyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CS(N)(=O)=O)CC1
InChIInChI=1S/C6H11NO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3,(H2,7,9,10)
InChIKeyDAPTVWLENMABTN-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.77
Rot. Bonds3

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

methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate (PubChem CID 155819334) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate
PubChem CID155819334
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namemethyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CS(N)(=O)=O)CC1
InChIInChI=1S/C6H11NO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3,(H2,7,9,10)
InChIKeyDAPTVWLENMABTN-UHFFFAOYSA-N
XLogP-0.77
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate (CID 155819334) is methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate is COC(=O)C1(CS(N)(=O)=O)CC1.
What is the InChIKey of methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate?
The InChIKey is DAPTVWLENMABTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3,(H2,7,9,10).
What are the key properties of methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate?
methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate has a molecular weight of 193.22 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(sulfamoylmethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 155819334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).