methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate

C15H24N2O4S — CID 22515635

IUPACmethyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCCCCCC2)cn1C
InChIInChI=1S/C15H24N2O4S/c1-17-11-13(10-14(17)15(18)21-2)22(19,20)16-12-8-6-4-3-5-7-9-12/h10-12,16H,3-9H2,1-2H3
InChIKeyKWHXWAWUNYHBSD-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.20
Rot. Bonds4

About methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate

methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate (PubChem CID 22515635) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
PubChem CID22515635
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namemethyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCCCCCC2)cn1C
InChIInChI=1S/C15H24N2O4S/c1-17-11-13(10-14(17)15(18)21-2)22(19,20)16-12-8-6-4-3-5-7-9-12/h10-12,16H,3-9H2,1-2H3
InChIKeyKWHXWAWUNYHBSD-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2R)-2-(cycloheptylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063581
4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 64741708
4-[(1,1-dioxothian-3-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 63922118
methyl 4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-1-methylpyrrole-2-carboxylate
CID 92722770
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 22515636
methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 75400499
4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119987196
1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 63663509
methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate (CID 22515635) is methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2CCCCCCC2)cn1C.
What is the InChIKey of methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is KWHXWAWUNYHBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-17-11-13(10-14(17)15(18)21-2)22(19,20)16-12-8-6-4-3-5-7-9-12/h10-12,16H,3-9H2,1-2H3.
What are the key properties of methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate?
methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 328.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).