1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide

C10H16N2O2S — CID 62084918

IUPAC1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide
SMILESCc1cc(C)c(C(C)S(N)(=O)=O)c(C)n1
InChIInChI=1S/C10H16N2O2S/c1-6-5-7(2)12-8(3)10(6)9(4)15(11,13)14/h5,9H,1-4H3,(H2,11,13,14)
InChIKeyKTATZTLOSGKOSS-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.36
Rot. Bonds2

About 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide

1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide (PubChem CID 62084918) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide
PubChem CID62084918
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide
SMILESCc1cc(C)c(C(C)S(N)(=O)=O)c(C)n1
InChIInChI=1S/C10H16N2O2S/c1-6-5-7(2)12-8(3)10(6)9(4)15(11,13)14/h5,9H,1-4H3,(H2,11,13,14)
InChIKeyKTATZTLOSGKOSS-UHFFFAOYSA-N
XLogP1.36
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide (CID 62084918) is 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide is Cc1cc(C)c(C(C)S(N)(=O)=O)c(C)n1.
What is the InChIKey of 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is KTATZTLOSGKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6-5-7(2)12-8(3)10(6)9(4)15(11,13)14/h5,9H,1-4H3,(H2,11,13,14).
What are the key properties of 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide?
1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 62084918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).