methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate

C12H17NO4S2 — CID 58873838

IUPACmethyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(S(=O)(=O)N(C)CC2CC2)s1
InChIInChI=1S/C12H17NO4S2/c1-8-6-10(11(14)17-3)18-12(8)19(15,16)13(2)7-9-4-5-9/h6,9H,4-5,7H2,1-3H3
InChIKeyPYXLOKVZTWQRPR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.87
Rot. Bonds5

About methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 58873838) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID58873838
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Namemethyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(S(=O)(=O)N(C)CC2CC2)s1
InChIInChI=1S/C12H17NO4S2/c1-8-6-10(11(14)17-3)18-12(8)19(15,16)13(2)7-9-4-5-9/h6,9H,4-5,7H2,1-3H3
InChIKeyPYXLOKVZTWQRPR-UHFFFAOYSA-N
XLogP1.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 58873838) is methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1cc(C)c(S(=O)(=O)N(C)CC2CC2)s1.
What is the InChIKey of methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is PYXLOKVZTWQRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-8-6-10(11(14)17-3)18-12(8)19(15,16)13(2)7-9-4-5-9/h6,9H,4-5,7H2,1-3H3.
What are the key properties of methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 58873838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).