methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate

C12H17NO5S — CID 2809994

IUPACmethyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C12H17NO5S/c1-7-10(12(14)17-3)11(8(2)18-7)19(15,16)13-6-9-4-5-9/h9,13H,4-6H2,1-3H3
InChIKeyDKRPZHSTBACACX-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.37
Rot. Bonds5

About methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate

methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (PubChem CID 2809994) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
PubChem CID2809994
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namemethyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C12H17NO5S/c1-7-10(12(14)17-3)11(8(2)18-7)19(15,16)13-6-9-4-5-9/h9,13H,4-6H2,1-3H3
InChIKeyDKRPZHSTBACACX-UHFFFAOYSA-N
XLogP1.37
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2742983
CID 2742993
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CID 121629090
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CID 2809991
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CID 43137832
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CID 60892908
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CID 63226043
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CID 82714441

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (CID 2809994) is methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1CC1.
What is the InChIKey of methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The InChIKey is DKRPZHSTBACACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-7-10(12(14)17-3)11(8(2)18-7)19(15,16)13-6-9-4-5-9/h9,13H,4-6H2,1-3H3.
What are the key properties of methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2809994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).