2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine

C9H14N2O2S — CID 112651586

IUPAC2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine
SMILESCc1cccnc1CS(=O)(=O)CCN
InChIInChI=1S/C9H14N2O2S/c1-8-3-2-5-11-9(8)7-14(12,13)6-4-10/h2-3,5H,4,6-7,10H2,1H3
InChIKeyOKFUKGDANVIBGU-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.26
Rot. Bonds4

About 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine

2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine (PubChem CID 112651586) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine
PubChem CID112651586
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine
SMILESCc1cccnc1CS(=O)(=O)CCN
InChIInChI=1S/C9H14N2O2S/c1-8-3-2-5-11-9(8)7-14(12,13)6-4-10/h2-3,5H,4,6-7,10H2,1H3
InChIKeyOKFUKGDANVIBGU-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

Analyze 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methyl-2-pyridinyl)methylsulfonyl]acetic acid
CID 112650397
bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid
CID 173404341
3-fluoro-4-[(3-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 112651599
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
3-fluoro-5-[(3-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 112651611
2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 154305051
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine
CID 81174634
N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
2-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
CID 96849507

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine (CID 112651586) is 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine is Cc1cccnc1CS(=O)(=O)CCN.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
The InChIKey is OKFUKGDANVIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-8-3-2-5-11-9(8)7-14(12,13)6-4-10/h2-3,5H,4,6-7,10H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine?
2-[(3-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-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine is sourced from PubChem (CID 112651586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).