N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide

C8H12N2O2S — CID 78980240

IUPACN-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
SMILESC[C@H](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/t7-/m0/s1
InChIKeyFKYZVQMLDJQCKR-ZETCQYMHSA-N
MW200.26 g/mol
LogP0.69
Rot. Bonds3

About N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide

N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide (PubChem CID 78980240) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
PubChem CID78980240
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
SMILESC[C@H](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/t7-/m0/s1
InChIKeyFKYZVQMLDJQCKR-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide (CID 78980240) is N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide is C[C@H](NS(C)(=O)=O)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
The InChIKey is FKYZVQMLDJQCKR-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
N-[(1S)-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-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide is sourced from PubChem (CID 78980240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).