methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate

C14H21NO4S2 — CID 102747997

IUPACmethyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C14H21NO4S2/c1-9-5-4-6-11(7-9)15-21(17,18)13-10(2)8-20-12(13)14(16)19-3/h8-9,11,15H,4-7H2,1-3H3
InChIKeyJWNYAIQHJAWVIK-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.70
Rot. Bonds4

About methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102747997) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102747997
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Namemethyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C14H21NO4S2/c1-9-5-4-6-11(7-9)15-21(17,18)13-10(2)8-20-12(13)14(16)19-3/h8-9,11,15H,4-7H2,1-3H3
InChIKeyJWNYAIQHJAWVIK-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-({[4-(aminosulfonyl)benzyl]amino}sulfonyl)-2-thiophenecarboxylate
CID 2738730
Dimethyl 3-methyl-5-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]thiophene-2,4-dicarboxylate
CID 42887159
3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 164641840
Methyl 3-{[2-(4-fluorophenyl)ethyl]sulfamoyl}thiophene-2-carboxylate
CID 16766382
methyl 2-(N-(1-(thiophen-2-yl)ethyl)sulfamoyl)benzoate
CID 103600960
Methyl 2-[3-[(4-methylphenyl)sulfonylamino]propyl]thiophene-3-carboxylate
CID 164681709
Methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 3868335
Methyl 3-{[(4-fluorobenzyl)amino]sulfonyl}-2-thiophenecarboxylate
CID 16766647
Methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
CID 18134651
Methyl 3-[2-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
CID 18148447
Methyl 3-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
CID 18148528
Methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate
CID 18148535

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate (CID 102747997) is methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC1CCCC(C)C1.
What is the InChIKey of methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is JWNYAIQHJAWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-9-5-4-6-11(7-9)15-21(17,18)13-10(2)8-20-12(13)14(16)19-3/h8-9,11,15H,4-7H2,1-3H3.
What are the key properties of methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102747997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).