1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide

C15H26N4O3S — CID 92861908

IUPAC1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)N1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-4-12(19-7-5-6-8-19)10-17-15(20)14-9-13(11-18(14)3)23(21,22)16-2/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyBISFBSKQJQUMHK-LBPRGKRZSA-N
MW342.47 g/mol
LogP0.54
Rot. Bonds7

About 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide

1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide (PubChem CID 92861908) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide
PubChem CID92861908
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)N1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-4-12(19-7-5-6-8-19)10-17-15(20)14-9-13(11-18(14)3)23(21,22)16-2/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyBISFBSKQJQUMHK-LBPRGKRZSA-N
XLogP0.54
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 93041462
2-hydroxy-4-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 107832704
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 55815802
1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51266579
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55742136
(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 30063127
N,1-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]pyrrole-3-sulfonamide
CID 32925642
3-iodo-N-[(2S)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658000
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55954561
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064828
1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
CID 94025999

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide (CID 92861908) is 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide is CC[C@@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)N1CCCC1.
What is the InChIKey of 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide?
The InChIKey is BISFBSKQJQUMHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-4-12(19-7-5-6-8-19)10-17-15(20)14-9-13(11-18(14)3)23(21,22)16-2/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide?
1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide is sourced from PubChem (CID 92861908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).