(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine

C14H22N2S — CID 113358838

IUPAC(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCSCC1C
InChIInChI=1S/C14H22N2S/c1-3-13(15)12-6-4-5-7-14(12)16-8-9-17-10-11(16)2/h4-7,11,13H,3,8-10,15H2,1-2H3/t11?,13-/m1/s1
InChIKeyUPVSCOPXXUWESY-GLGOKHISSA-N
MW250.41 g/mol
LogP3.04
Rot. Bonds3

About (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine

(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine (PubChem CID 113358838) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine
PubChem CID113358838
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCSCC1C
InChIInChI=1S/C14H22N2S/c1-3-13(15)12-6-4-5-7-14(12)16-8-9-17-10-11(16)2/h4-7,11,13H,3,8-10,15H2,1-2H3/t11?,13-/m1/s1
InChIKeyUPVSCOPXXUWESY-GLGOKHISSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine (CID 113358838) is (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1N1CCSCC1C.
What is the InChIKey of (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine?
The InChIKey is UPVSCOPXXUWESY-GLGOKHISSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-13(15)12-6-4-5-7-14(12)16-8-9-17-10-11(16)2/h4-7,11,13H,3,8-10,15H2,1-2H3/t11?,13-/m1/s1.
What are the key properties of (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine?
(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 113358838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).