2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C17H28N4O3S — CID 120772528

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)N1CCC(C)(CN)C1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H28N4O3S/c1-12(14-4-6-15(7-5-14)25(19,23)24)20-16(22)13(2)21-9-8-17(3,10-18)11-21/h4-7,12-13H,8-11,18H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXUGPUQDJMDIJHI-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.57
Rot. Bonds6

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 120772528) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID120772528
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)N1CCC(C)(CN)C1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H28N4O3S/c1-12(14-4-6-15(7-5-14)25(19,23)24)20-16(22)13(2)21-9-8-17(3,10-18)11-21/h4-7,12-13H,8-11,18H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXUGPUQDJMDIJHI-UHFFFAOYSA-N
XLogP0.57
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 120775282
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115452372
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32861552
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 120771900
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 120772528) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(NC(=O)C(C)N1CCC(C)(CN)C1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is XUGPUQDJMDIJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-12(14-4-6-15(7-5-14)25(19,23)24)20-16(22)13(2)21-9-8-17(3,10-18)11-21/h4-7,12-13H,8-11,18H2,1-3H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 368.50 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 120772528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).