1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide

C13H21N3O4S — CID 86825291

IUPAC1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C13H21N3O4S/c1-15-9-11(7-12(15)13(14)17)21(18,19)16(2)8-10-5-3-4-6-20-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,17)
InChIKeyHZKIMTYIWJGUMM-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.31
Rot. Bonds5

About 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide

1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide (PubChem CID 86825291) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
PubChem CID86825291
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C13H21N3O4S/c1-15-9-11(7-12(15)13(14)17)21(18,19)16(2)8-10-5-3-4-6-20-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,17)
InChIKeyHZKIMTYIWJGUMM-UHFFFAOYSA-N
XLogP0.31
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115867593
ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284021
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
3-amino-4-fluoro-N,5-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 115421434
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79652333
4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106608029
N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854844
ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
CID 6623831
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10385429

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide (CID 86825291) is 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide is CN(CC1CCCCO1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is HZKIMTYIWJGUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15-9-11(7-12(15)13(14)17)21(18,19)16(2)8-10-5-3-4-6-20-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,17).
What are the key properties of 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide?
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 86825291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).