methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate

C10H18N2O5S — CID 56874430

IUPACmethyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)NCCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H18N2O5S/c1-12(2)18(15,16)7-6-11-8(13)10(4-5-10)9(14)17-3/h4-7H2,1-3H3,(H,11,13)
InChIKeyDHCLDPJVGFFEGX-UHFFFAOYSA-N
MW278.33 g/mol
LogP-1.05
Rot. Bonds6

About methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate

methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate (PubChem CID 56874430) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate
PubChem CID56874430
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Namemethyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)NCCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H18N2O5S/c1-12(2)18(15,16)7-6-11-8(13)10(4-5-10)9(14)17-3/h4-7H2,1-3H3,(H,11,13)
InChIKeyDHCLDPJVGFFEGX-UHFFFAOYSA-N
XLogP-1.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 106338824
4-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]oxane-4-carboxamide
CID 106338837
N-[2-(dimethylsulfamoyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 106337546
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184517
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106334798
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-amino-N-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]acetamide
CID 114175259
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
N-[2-(dimethylsulfamoyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 106337275

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate (CID 56874430) is methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate is COC(=O)C1(C(=O)NCCS(=O)(=O)N(C)C)CC1.
What is the InChIKey of methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate?
The InChIKey is DHCLDPJVGFFEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-12(2)18(15,16)7-6-11-8(13)10(4-5-10)9(14)17-3/h4-7H2,1-3H3,(H,11,13).
What are the key properties of methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate?
methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate has a molecular weight of 278.33 g/mol, XLogP of -1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 56874430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).