N-(2-pyridin-4-ylethyl)methanesulfonamide

C8H12N2O2S — CID 2797875

IUPACN-(2-pyridin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)10-7-4-8-2-5-9-6-3-8/h2-3,5-6,10H,4,7H2,1H3
InChIKeyHGWROMIQFKLGQR-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.17
Rot. Bonds4

About N-(2-pyridin-4-ylethyl)methanesulfonamide

N-(2-pyridin-4-ylethyl)methanesulfonamide (PubChem CID 2797875) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)methanesulfonamide
PubChem CID2797875
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(2-pyridin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)10-7-4-8-2-5-9-6-3-8/h2-3,5-6,10H,4,7H2,1H3
InChIKeyHGWROMIQFKLGQR-UHFFFAOYSA-N
XLogP0.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-(2-pyridin-4-ylethyl)methanesulfonamide (CID 2797875) is N-(2-pyridin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2-pyridin-4-ylethyl)methanesulfonamide is CS(=O)(=O)NCCc1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)methanesulfonamide?
The InChIKey is HGWROMIQFKLGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-13(11,12)10-7-4-8-2-5-9-6-3-8/h2-3,5-6,10H,4,7H2,1H3.
What are the key properties of N-(2-pyridin-4-ylethyl)methanesulfonamide?
N-(2-pyridin-4-ylethyl)methanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 2797875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).