N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C17H30N4O3S — CID 55742136

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CC(C)CC(C)C2)n(C)c1
InChIInChI=1S/C17H30N4O3S/c1-13-8-14(2)11-21(10-13)7-5-6-19-17(22)16-9-15(12-20(16)4)25(23,24)18-3/h9,12-14,18H,5-8,10-11H2,1-4H3,(H,19,22)
InChIKeyRWIRPALDGHJDNQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.03
Rot. Bonds7

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 55742136) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID55742136
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CC(C)CC(C)C2)n(C)c1
InChIInChI=1S/C17H30N4O3S/c1-13-8-14(2)11-21(10-13)7-5-6-19-17(22)16-9-15(12-20(16)4)25(23,24)18-3/h9,12-14,18H,5-8,10-11H2,1-4H3,(H,19,22)
InChIKeyRWIRPALDGHJDNQ-UHFFFAOYSA-N
XLogP1.03
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483
N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 51125129
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 16780041
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55954561
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55742784
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78879680

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 55742136) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)NCCCN2CC(C)CC(C)C2)n(C)c1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is RWIRPALDGHJDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-13-8-14(2)11-21(10-13)7-5-6-19-17(22)16-9-15(12-20(16)4)25(23,24)18-3/h9,12-14,18H,5-8,10-11H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55742136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).