N-(1-pyridin-2-ylethyl)methanesulfonamide

C8H12N2O2S — CID 60681407

IUPACN-(1-pyridin-2-ylethyl)methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccccn1
InChIInChI=1S/C8H12N2O2S/c1-7(10-13(2,11)12)8-5-3-4-6-9-8/h3-7,10H,1-2H3
InChIKeyFKYZVQMLDJQCKR-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.69
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)methanesulfonamide

N-(1-pyridin-2-ylethyl)methanesulfonamide (PubChem CID 60681407) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)methanesulfonamide
PubChem CID60681407
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(1-pyridin-2-ylethyl)methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccccn1
InChIInChI=1S/C8H12N2O2S/c1-7(10-13(2,11)12)8-5-3-4-6-9-8/h3-7,10H,1-2H3
InChIKeyFKYZVQMLDJQCKR-UHFFFAOYSA-N
XLogP0.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-(dimethylsulfamoylamino)ethyl]pyridine
CID 94063709
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
CID 79580360
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41083773
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)methanesulfonamide?
The IUPAC name of N-(1-pyridin-2-ylethyl)methanesulfonamide (CID 60681407) is N-(1-pyridin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)methanesulfonamide?
The canonical SMILES for N-(1-pyridin-2-ylethyl)methanesulfonamide is CC(NS(C)(=O)=O)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)methanesulfonamide?
The InChIKey is FKYZVQMLDJQCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-7(10-13(2,11)12)8-5-3-4-6-9-8/h3-7,10H,1-2H3.
What are the key properties of N-(1-pyridin-2-ylethyl)methanesulfonamide?
N-(1-pyridin-2-ylethyl)methanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 60681407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).