methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate

C13H19NO4S2 — CID 102747971

IUPACmethyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C13H19NO4S2/c1-9-8-19-11(13(15)18-3)12(9)20(16,17)14(2)10-6-4-5-7-10/h8,10H,4-7H2,1-3H3
InChIKeyHSUWTGWECBPWBN-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.41
Rot. Bonds4

About methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102747971) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102747971
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Namemethyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C13H19NO4S2/c1-9-8-19-11(13(15)18-3)12(9)20(16,17)14(2)10-6-4-5-7-10/h8,10H,4-7H2,1-3H3
InChIKeyHSUWTGWECBPWBN-UHFFFAOYSA-N
XLogP2.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 120875057
methyl 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-4-methylthiophene-2-carboxylate
CID 102749517
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794951
2-(chloromethyl)-N-cycloheptyl-N,4-dimethylthiophene-3-sulfonamide
CID 102750438
methyl 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylate
CID 102748933
methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 114230128
methyl 3-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749275
methyl 3-[2,2-difluoroethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749343
methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 102747997
methyl 4-methyl-3-(2-methylazepan-1-yl)sulfonylthiophene-2-carboxylate
CID 102748837
methyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749118
methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749197

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102747971) is methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)N(C)C1CCCC1.
What is the InChIKey of methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is HSUWTGWECBPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-9-8-19-11(13(15)18-3)12(9)20(16,17)14(2)10-6-4-5-7-10/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102747971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).