(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine

C9H14N2O2S — CID 68652782

IUPAC(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine
SMILESCCS(=O)(=O)c1cncc([C@H](C)N)c1
InChIInChI=1S/C9H14N2O2S/c1-3-14(12,13)9-4-8(7(2)10)5-11-6-9/h4-7H,3,10H2,1-2H3/t7-/m0/s1
InChIKeyCTCWYXFJJBOWJL-ZETCQYMHSA-N
MW214.29 g/mol
LogP0.89
Rot. Bonds3

About (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine

(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine (PubChem CID 68652782) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine
PubChem CID68652782
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine
SMILESCCS(=O)(=O)c1cncc([C@H](C)N)c1
InChIInChI=1S/C9H14N2O2S/c1-3-14(12,13)9-4-8(7(2)10)5-11-6-9/h4-7H,3,10H2,1-2H3/t7-/m0/s1
InChIKeyCTCWYXFJJBOWJL-ZETCQYMHSA-N
XLogP0.89
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine (CID 68652782) is (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine is CCS(=O)(=O)c1cncc([C@H](C)N)c1.
What is the InChIKey of (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine?
The InChIKey is CTCWYXFJJBOWJL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-14(12,13)9-4-8(7(2)10)5-11-6-9/h4-7H,3,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine?
(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine has a molecular weight of 214.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 68652782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).