(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

C18H24N2O2S — CID 97230181

IUPAC(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCC(C)Oc1ncccc1CN[C@@H](C)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C18H24N2O2S/c1-13(2)22-18-16(6-5-11-19-18)12-20-14(3)15-7-9-17(10-8-15)23(4)21/h5-11,13-14,20H,12H2,1-4H3/t14-,23-/m0/s1
InChIKeyIDBFDOIBLCBLPC-PSLXWICFSA-N
MW332.47 g/mol
LogP3.46
Rot. Bonds7

About (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 97230181) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
PubChem CID97230181
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCC(C)Oc1ncccc1CN[C@@H](C)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C18H24N2O2S/c1-13(2)22-18-16(6-5-11-19-18)12-20-14(3)15-7-9-17(10-8-15)23(4)21/h5-11,13-14,20H,12H2,1-4H3/t14-,23-/m0/s1
InChIKeyIDBFDOIBLCBLPC-PSLXWICFSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61372938
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61374587
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
CID 104581823
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 97308672
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (CID 97230181) is (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is CC(C)Oc1ncccc1CN[C@@H](C)c1ccc([S@](C)=O)cc1.
What is the InChIKey of (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is IDBFDOIBLCBLPC-PSLXWICFSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13(2)22-18-16(6-5-11-19-18)12-20-14(3)15-7-9-17(10-8-15)23(4)21/h5-11,13-14,20H,12H2,1-4H3/t14-,23-/m0/s1.
What are the key properties of (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 332.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 97230181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).