2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone

C12H15ClN2O3S — CID 81181296

IUPAC2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone
SMILESNc1ccc(Cl)cc1S(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H15ClN2O3S/c13-9-1-2-10(14)11(7-9)19(17)8-12(16)15-3-5-18-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyQKPSYZARQWKQDH-UHFFFAOYSA-N
MW302.78 g/mol
LogP0.89
Rot. Bonds3

About 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone

2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone (PubChem CID 81181296) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone
PubChem CID81181296
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone
SMILESNc1ccc(Cl)cc1S(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H15ClN2O3S/c13-9-1-2-10(14)11(7-9)19(17)8-12(16)15-3-5-18-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyQKPSYZARQWKQDH-UHFFFAOYSA-N
XLogP0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 50.89
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-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 81175966
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
2-(4-amino-3-chlorophenyl)sulfinyl-1-(4-methylpiperazin-1-yl)ethanone
CID 81202667
2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfinylphenyl]acetic acid
CID 64928981
2-(3-amino-2-methylphenyl)sulfinyl-1-pyrrolidin-1-ylethanone
CID 81191386
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
2-(2-amino-5-chlorophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81180589
4-(4-amino-3-chlorophenyl)sulfanyl-1-morpholin-4-ylbutan-1-one
CID 79149550
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone (CID 81181296) is 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone is Nc1ccc(Cl)cc1S(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone?
The InChIKey is QKPSYZARQWKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-9-1-2-10(14)11(7-9)19(17)8-12(16)15-3-5-18-6-4-15/h1-2,7H,3-6,8,14H2.
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone?
2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone has a molecular weight of 302.78 g/mol, XLogP of 0.89, 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-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 81181296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).