methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate

C15H24N2O4S — CID 53069074

IUPACmethyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)c(C)n1C
InChIInChI=1S/C15H24N2O4S/c1-10-5-7-12(8-6-10)16-22(19,20)14-9-13(15(18)21-4)17(3)11(14)2/h9-10,12,16H,5-8H2,1-4H3
InChIKeyDATBIOBMLDGTIO-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.98
Rot. Bonds4

About methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate

methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate (PubChem CID 53069074) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
PubChem CID53069074
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namemethyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)c(C)n1C
InChIInChI=1S/C15H24N2O4S/c1-10-5-7-12(8-6-10)16-22(19,20)14-9-13(15(18)21-4)17(3)11(14)2/h9-10,12,16H,5-8H2,1-4H3
InChIKeyDATBIOBMLDGTIO-UHFFFAOYSA-N
XLogP1.98
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chlorosulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 83488420
methyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 95068807
methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53069046
methyl 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 95068801
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
methyl 4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069083
ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069179
methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 119970907
methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515635
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate (CID 53069074) is methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)c(C)n1C.
What is the InChIKey of methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is DATBIOBMLDGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10-5-7-12(8-6-10)16-22(19,20)14-9-13(15(18)21-4)17(3)11(14)2/h9-10,12,16H,5-8H2,1-4H3.
What are the key properties of methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 328.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 53069074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).