1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide

C14H24N4O4S — CID 94025999

IUPAC1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CN2CCOCC2)n(C)c1
InChIInChI=1S/C14H24N4O4S/c1-11(9-18-4-6-22-7-5-18)16-14(19)13-8-12(10-17(13)3)23(20,21)15-2/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyBLONQKZDQPLTHE-LLVKDONJSA-N
MW344.44 g/mol
LogP-0.62
Rot. Bonds6

About 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide

1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide (PubChem CID 94025999) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
PubChem CID94025999
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CN2CCOCC2)n(C)c1
InChIInChI=1S/C14H24N4O4S/c1-11(9-18-4-6-22-7-5-18)16-14(19)13-8-12(10-17(13)3)23(20,21)15-2/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyBLONQKZDQPLTHE-LLVKDONJSA-N
XLogP-0.62
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 30063127
1,6-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-oxopyridine-3-carboxamide
CID 126449276
(2S,3R)-3-hydroxy-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104965020
N,1-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]pyrrole-3-sulfonamide
CID 32925642
1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 94490887
N-(2-hydroxyethyl)-1-methyl-4-(methylsulfamoyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 43573443
1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624112
N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 94116612
1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide
CID 92861908
1-methyl-4-(methylsulfamoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 103855918
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide (CID 94025999) is 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)N[C@H](C)CN2CCOCC2)n(C)c1.
What is the InChIKey of 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide?
The InChIKey is BLONQKZDQPLTHE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-11(9-18-4-6-22-7-5-18)16-14(19)13-8-12(10-17(13)3)23(20,21)15-2/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide?
1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 94025999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).