N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide

C12H20N4O3S — CID 119584043

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCC(CN)N(C)C(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H20N4O3S/c1-10(8-13)16(2)12(17)5-7-15-20(18,19)11-4-3-6-14-9-11/h3-4,6,9-10,15H,5,7-8,13H2,1-2H3
InChIKeyBEEZLGOXCYNFCY-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.44
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide

N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 119584043) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID119584043
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCC(CN)N(C)C(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H20N4O3S/c1-10(8-13)16(2)12(17)5-7-15-20(18,19)11-4-3-6-14-9-11/h3-4,6,9-10,15H,5,7-8,13H2,1-2H3
InChIKeyBEEZLGOXCYNFCY-UHFFFAOYSA-N
XLogP-0.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119607953
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-propylpyridine-3-sulfonamide
CID 43258995
N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119443531
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide
CID 141287527

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide (CID 119584043) is N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide is CC(CN)N(C)C(=O)CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is BEEZLGOXCYNFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-10(8-13)16(2)12(17)5-7-15-20(18,19)11-4-3-6-14-9-11/h3-4,6,9-10,15H,5,7-8,13H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide?
N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 300.38 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 119584043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).