3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine

C9H14N2O2S — CID 62602759

IUPAC3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1cccnc1
InChIInChI=1S/C9H14N2O2S/c1-14(12,13)6-4-9(10)8-3-2-5-11-7-8/h2-3,5,7,9H,4,6,10H2,1H3
InChIKeyZMYBKPHQVKGYQK-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.52
Rot. Bonds4

About 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine

3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 62602759) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
PubChem CID62602759
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1cccnc1
InChIInChI=1S/C9H14N2O2S/c1-14(12,13)6-4-9(10)8-3-2-5-11-7-8/h2-3,5,7,9H,4,6,10H2,1H3
InChIKeyZMYBKPHQVKGYQK-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine
CID 175708533
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine (CID 62602759) is 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine is CS(=O)(=O)CCC(N)c1cccnc1.
What is the InChIKey of 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is ZMYBKPHQVKGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-14(12,13)6-4-9(10)8-3-2-5-11-7-8/h2-3,5,7,9H,4,6,10H2,1H3.
What are the key properties of 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 214.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 62602759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).