4-(2-morpholin-4-ylethylsulfinyl)aniline

C12H18N2O2S — CID 61368306

IUPAC4-(2-morpholin-4-ylethylsulfinyl)aniline
SMILESNc1ccc(S(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C12H18N2O2S/c13-11-1-3-12(4-2-11)17(15)10-7-14-5-8-16-9-6-14/h1-4H,5-10,13H2
InChIKeyCHDODECLFKKTLP-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.71
Rot. Bonds4

About 4-(2-morpholin-4-ylethylsulfinyl)aniline

4-(2-morpholin-4-ylethylsulfinyl)aniline (PubChem CID 61368306) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylsulfinyl)aniline.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylsulfinyl)aniline
PubChem CID61368306
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-(2-morpholin-4-ylethylsulfinyl)aniline
SMILESNc1ccc(S(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C12H18N2O2S/c13-11-1-3-12(4-2-11)17(15)10-7-14-5-8-16-9-6-14/h1-4H,5-10,13H2
InChIKeyCHDODECLFKKTLP-UHFFFAOYSA-N
XLogP0.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.71
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

3-(2-morpholin-4-ylethylsulfinyl)aniline
CID 81175609
5-fluoro-2-(2-morpholin-4-ylethylsulfinyl)aniline
CID 81191706
4-morpholin-4-ylsulfinylaniline
CID 82473587
morpholin-4-yl 4-aminobenzenesulfinate
CID 143384955
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid
CID 92966056
1-[2-(4-bromophenyl)sulfinylethyl]-4-methylpiperazine
CID 166932398
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263
4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine
CID 63233562
4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylsulfinyl)aniline?
The IUPAC name of 4-(2-morpholin-4-ylethylsulfinyl)aniline (CID 61368306) is 4-(2-morpholin-4-ylethylsulfinyl)aniline.
What is the SMILES notation for 4-(2-morpholin-4-ylethylsulfinyl)aniline?
The canonical SMILES for 4-(2-morpholin-4-ylethylsulfinyl)aniline is Nc1ccc(S(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 4-(2-morpholin-4-ylethylsulfinyl)aniline?
The InChIKey is CHDODECLFKKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-11-1-3-12(4-2-11)17(15)10-7-14-5-8-16-9-6-14/h1-4H,5-10,13H2.
What are the key properties of 4-(2-morpholin-4-ylethylsulfinyl)aniline?
4-(2-morpholin-4-ylethylsulfinyl)aniline has a molecular weight of 254.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylsulfinyl)aniline is sourced from PubChem (CID 61368306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).