6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine

C15H18N2O2S — CID 43675312

IUPAC6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine
SMILESCCC(Nc1ccc(S(C)(=O)=O)nc1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-3-14(12-7-5-4-6-8-12)17-13-9-10-15(16-11-13)20(2,18)19/h4-11,14,17H,3H2,1-2H3
InChIKeyXFHVCVXYCFDHQK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.05
Rot. Bonds5

About 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine

6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine (PubChem CID 43675312) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine
PubChem CID43675312
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine
SMILESCCC(Nc1ccc(S(C)(=O)=O)nc1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-3-14(12-7-5-4-6-8-12)17-13-9-10-15(16-11-13)20(2,18)19/h4-11,14,17H,3H2,1-2H3
InChIKeyXFHVCVXYCFDHQK-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
CID 43675220
N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
CID 43704473
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
4-(1-phenylpropylamino)phenol
CID 43742837
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
1-[4-(1-phenylpropylamino)phenyl]ethanone
CID 114468209
5-fluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 62305917
2-methyl-3-[(6-methylsulfonyl-3-pyridinyl)amino]butan-2-ol
CID 65338019
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine?
The IUPAC name of 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine (CID 43675312) is 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine.
What is the SMILES notation for 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine?
The canonical SMILES for 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine is CCC(Nc1ccc(S(C)(=O)=O)nc1)c1ccccc1.
What is the InChIKey of 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine?
The InChIKey is XFHVCVXYCFDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-14(12-7-5-4-6-8-12)17-13-9-10-15(16-11-13)20(2,18)19/h4-11,14,17H,3H2,1-2H3.
What are the key properties of 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine?
6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine has a molecular weight of 290.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine is sourced from PubChem (CID 43675312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).