1-(2-thiomorpholin-4-ylphenyl)propan-2-amine

C13H20N2S — CID 63787448

IUPAC1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCSCC1
InChIInChI=1S/C13H20N2S/c1-11(14)10-12-4-2-3-5-13(12)15-6-8-16-9-7-15/h2-5,11H,6-10,14H2,1H3
InChIKeyDOKFBTMMYCRYPB-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine

1-(2-thiomorpholin-4-ylphenyl)propan-2-amine (PubChem CID 63787448) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
PubChem CID63787448
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCSCC1
InChIInChI=1S/C13H20N2S/c1-11(14)10-12-4-2-3-5-13(12)15-6-8-16-9-7-15/h2-5,11H,6-10,14H2,1H3
InChIKeyDOKFBTMMYCRYPB-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine?
The IUPAC name of 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine (CID 63787448) is 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine is CC(N)Cc1ccccc1N1CCSCC1.
What is the InChIKey of 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine?
The InChIKey is DOKFBTMMYCRYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-11(14)10-12-4-2-3-5-13(12)15-6-8-16-9-7-15/h2-5,11H,6-10,14H2,1H3.
What are the key properties of 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine?
1-(2-thiomorpholin-4-ylphenyl)propan-2-amine has a molecular weight of 236.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiomorpholin-4-ylphenyl)propan-2-amine is sourced from PubChem (CID 63787448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).