2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine

C9H14N2OS — CID 115632570

IUPAC2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCS(=O)CCNCc1ccccn1
InChIInChI=1S/C9H14N2OS/c1-13(12)7-6-10-8-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3
InChIKeyQRFWAWUSEKKRPY-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.55
Rot. Bonds5

About 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine

2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 115632570) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID115632570
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCS(=O)CCNCc1ccccn1
InChIInChI=1S/C9H14N2OS/c1-13(12)7-6-10-8-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3
InChIKeyQRFWAWUSEKKRPY-UHFFFAOYSA-N
XLogP0.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-[2-[(S)-methylsulfinyl]ethyl]pyridine
CID 97301952
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
chloro(hydrido)osmium;methanone;N-(pyridin-2-ylmethyl)propan-1-amine
CID 162303268
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
1-(4-methylphenyl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 94270980
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine (CID 115632570) is 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine is CS(=O)CCNCc1ccccn1.
What is the InChIKey of 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is QRFWAWUSEKKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-13(12)7-6-10-8-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine?
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 198.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115632570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).