2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone

C13H18N2O2S — CID 79143140

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1ccc(N)c(SCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O2S/c1-10-2-3-11(14)12(8-10)18-9-13(16)15-4-6-17-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyJEDNNNMUHDHRDH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.53
Rot. Bonds3

About 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone

2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 79143140) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID79143140
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1ccc(N)c(SCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O2S/c1-10-2-3-11(14)12(8-10)18-9-13(16)15-4-6-17-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyJEDNNNMUHDHRDH-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-methylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 79142739
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
2-(3-amino-2-methylphenyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 79144580
2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
CID 79142549
2-(2-amino-5-fluorophenyl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 79148611
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
2-(3-amino-2-methylphenyl)sulfanyl-1-piperazin-1-ylethanone
CID 79143784
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 79526927
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
CID 4089685
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 64665740
2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1153431

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone (CID 79143140) is 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone is Cc1ccc(N)c(SCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is JEDNNNMUHDHRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10-2-3-11(14)12(8-10)18-9-13(16)15-4-6-17-7-5-15/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone?
2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 266.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 79143140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).