N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide

C10H16N2O2S — CID 125443306

IUPACN-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1cccc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-4-15(13,14)12-9(3)10-7-5-6-8(2)11-10/h5-7,9,12H,4H2,1-3H3/t9-/m0/s1
InChIKeyAMDOQPKXBPKBQN-VIFPVBQESA-N
MW228.32 g/mol
LogP1.39
Rot. Bonds4

About N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide

N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide (PubChem CID 125443306) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide
PubChem CID125443306
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1cccc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-4-15(13,14)12-9(3)10-7-5-6-8(2)11-10/h5-7,9,12H,4H2,1-3H3/t9-/m0/s1
InChIKeyAMDOQPKXBPKBQN-VIFPVBQESA-N
XLogP1.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide (CID 125443306) is N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide is CCS(=O)(=O)N[C@@H](C)c1cccc(C)n1.
What is the InChIKey of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide?
The InChIKey is AMDOQPKXBPKBQN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-15(13,14)12-9(3)10-7-5-6-8(2)11-10/h5-7,9,12H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide?
N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 125443306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).