2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

C14H20N2O3S — CID 79830536

IUPAC2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1cc(N)ccc1SC(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c1-10(14(17)16-5-7-19-8-6-16)20-13-4-3-11(15)9-12(13)18-2/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyKFTRZWNSXGKARW-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.62
Rot. Bonds4

About 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 79830536) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID79830536
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1cc(N)ccc1SC(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c1-10(14(17)16-5-7-19-8-6-16)20-13-4-3-11(15)9-12(13)18-2/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyKFTRZWNSXGKARW-UHFFFAOYSA-N
XLogP1.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 43885604
2-(4-amino-2-methoxyphenyl)sulfanylpropanamide
CID 79822587
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 61358066
2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 43305442
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
(2R)-2-[[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 52515000
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 66354946
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79830633
2-(2-amino-5-methoxyphenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 79515202
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 42443716
3-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylbenzaldehyde
CID 66354077

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 79830536) is 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is COc1cc(N)ccc1SC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is KFTRZWNSXGKARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(14(17)16-5-7-19-8-6-16)20-13-4-3-11(15)9-12(13)18-2/h3-4,9-10H,5-8,15H2,1-2H3.
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 296.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79830536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).