2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine

C9H14N2O2S — CID 81174634

IUPAC2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine
SMILESCc1cccc(CS(=O)(=O)CCN)n1
InChIInChI=1S/C9H14N2O2S/c1-8-3-2-4-9(11-8)7-14(12,13)6-5-10/h2-4H,5-7,10H2,1H3
InChIKeyFCQULSNJAOSNSL-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.26
Rot. Bonds4

About 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine

2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine (PubChem CID 81174634) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine
PubChem CID81174634
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine
SMILESCc1cccc(CS(=O)(=O)CCN)n1
InChIInChI=1S/C9H14N2O2S/c1-8-3-2-4-9(11-8)7-14(12,13)6-5-10/h2-4H,5-7,10H2,1H3
InChIKeyFCQULSNJAOSNSL-UHFFFAOYSA-N
XLogP0.26
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine (CID 81174634) is 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine is Cc1cccc(CS(=O)(=O)CCN)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
The InChIKey is FCQULSNJAOSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-8-3-2-4-9(11-8)7-14(12,13)6-5-10/h2-4H,5-7,10H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine has a molecular weight of 214.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine is sourced from PubChem (CID 81174634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).