2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one

C14H20N2O2S — CID 66354946

IUPAC2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCC(Sc1cccc(CN)c1)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O2S/c1-11(14(17)16-5-7-18-8-6-16)19-13-4-2-3-12(9-13)10-15/h2-4,9,11H,5-8,10,15H2,1H3
InChIKeySBSCMHXJNUEHSU-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.48
Rot. Bonds4

About 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one

2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 66354946) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID66354946
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCC(Sc1cccc(CN)c1)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O2S/c1-11(14(17)16-5-7-18-8-6-16)19-13-4-2-3-12(9-13)10-15/h2-4,9,11H,5-8,10,15H2,1H3
InChIKeySBSCMHXJNUEHSU-UHFFFAOYSA-N
XLogP1.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one (CID 66354946) is 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one is CC(Sc1cccc(CN)c1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is SBSCMHXJNUEHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(14(17)16-5-7-18-8-6-16)19-13-4-2-3-12(9-13)10-15/h2-4,9,11H,5-8,10,15H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one?
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 280.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 66354946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).