3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide

C9H13N3O3S — CID 70888072

IUPAC3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide
SMILESCNS(=O)(=O)c1cc(CCC(N)=O)ccn1
InChIInChI=1S/C9H13N3O3S/c1-11-16(14,15)9-6-7(4-5-12-9)2-3-8(10)13/h4-6,11H,2-3H2,1H3,(H2,10,13)
InChIKeyDIYWZJLOGPULHM-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.59
Rot. Bonds5

About 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide

3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide (PubChem CID 70888072) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide
PubChem CID70888072
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide
SMILESCNS(=O)(=O)c1cc(CCC(N)=O)ccn1
InChIInChI=1S/C9H13N3O3S/c1-11-16(14,15)9-6-7(4-5-12-9)2-3-8(10)13/h4-6,11H,2-3H2,1H3,(H2,10,13)
InChIKeyDIYWZJLOGPULHM-UHFFFAOYSA-N
XLogP-0.59
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7h
CID 44520904
Sulfonamide deriv., 7i
CID 44520905
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 2991744
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
N-Pyridin-4-ylmethyl-benzenesulfonamide
CID 818674

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide?
The IUPAC name of 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide (CID 70888072) is 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide.
What is the SMILES notation for 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide?
The canonical SMILES for 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide is CNS(=O)(=O)c1cc(CCC(N)=O)ccn1.
What is the InChIKey of 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide?
The InChIKey is DIYWZJLOGPULHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-11-16(14,15)9-6-7(4-5-12-9)2-3-8(10)13/h4-6,11H,2-3H2,1H3,(H2,10,13).
What are the key properties of 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide?
3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide has a molecular weight of 243.29 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide is sourced from PubChem (CID 70888072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).