4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide

C13H21N3O4S — CID 115867593

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C13H21N3O4S/c1-15-8-10(7-11(15)12(14)17)21(19,20)16(2)9-13(18)5-3-4-6-13/h7-8,18H,3-6,9H2,1-2H3,(H2,14,17)
InChIKeyMOJLNWLGKKMAFR-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.05
Rot. Bonds5

About 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide

4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 115867593) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID115867593
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C13H21N3O4S/c1-15-8-10(7-11(15)12(14)17)21(19,20)16(2)9-13(18)5-3-4-6-13/h7-8,18H,3-6,9H2,1-2H3,(H2,14,17)
InChIKeyMOJLNWLGKKMAFR-UHFFFAOYSA-N
XLogP0.05
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79652333
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]benzenecarbothioamide
CID 114949421
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 114947166
4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115362903
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-N-methylbenzenesulfonamide
CID 122141769
4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 54878609
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
CID 81103089
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 107483821
2-[tert-butyl-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]acetic acid
CID 79262297
1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445410
4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106608029

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide (CID 115867593) is 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide is CN(CC1(O)CCCC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MOJLNWLGKKMAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15-8-10(7-11(15)12(14)17)21(19,20)16(2)9-13(18)5-3-4-6-13/h7-8,18H,3-6,9H2,1-2H3,(H2,14,17).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115867593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).