3-(pyridin-3-ylmethylsulfonyl)propanamide

C9H12N2O3S — CID 90715302

IUPAC3-(pyridin-3-ylmethylsulfonyl)propanamide
SMILESNC(=O)CCS(=O)(=O)Cc1cccnc1
InChIInChI=1S/C9H12N2O3S/c10-9(12)3-5-15(13,14)7-8-2-1-4-11-6-8/h1-2,4,6H,3,5,7H2,(H2,10,12)
InChIKeyIRTGHNHGVJQAFS-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.13
Rot. Bonds5

About 3-(pyridin-3-ylmethylsulfonyl)propanamide

3-(pyridin-3-ylmethylsulfonyl)propanamide (PubChem CID 90715302) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound Name3-(pyridin-3-ylmethylsulfonyl)propanamide
PubChem CID90715302
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-(pyridin-3-ylmethylsulfonyl)propanamide
SMILESNC(=O)CCS(=O)(=O)Cc1cccnc1
InChIInChI=1S/C9H12N2O3S/c10-9(12)3-5-15(13,14)7-8-2-1-4-11-6-8/h1-2,4,6H,3,5,7H2,(H2,10,12)
InChIKeyIRTGHNHGVJQAFS-UHFFFAOYSA-N
XLogP-0.13
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-ylmethanesulfonyl chloride
CID 4658302
N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
CID 167975827
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
CID 59070093
CID 59070093
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
CID 71154587
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
CID 170845022
CID 170845022
ethyl pyridin-3-ylmethanesulfonate
CID 174906539
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethylsulfonyl)propanamide?
The IUPAC name of 3-(pyridin-3-ylmethylsulfonyl)propanamide (CID 90715302) is 3-(pyridin-3-ylmethylsulfonyl)propanamide.
What is the SMILES notation for 3-(pyridin-3-ylmethylsulfonyl)propanamide?
The canonical SMILES for 3-(pyridin-3-ylmethylsulfonyl)propanamide is NC(=O)CCS(=O)(=O)Cc1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylmethylsulfonyl)propanamide?
The InChIKey is IRTGHNHGVJQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-9(12)3-5-15(13,14)7-8-2-1-4-11-6-8/h1-2,4,6H,3,5,7H2,(H2,10,12).
What are the key properties of 3-(pyridin-3-ylmethylsulfonyl)propanamide?
3-(pyridin-3-ylmethylsulfonyl)propanamide has a molecular weight of 228.27 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 90715302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).