4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline

C15H24N2O2S — CID 81182878

IUPAC4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
SMILESCc1ccc(N)c(S(=O)CC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)17-6-7-19-13(9-17)10-20(18)15-8-12(3)4-5-14(15)16/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyPRZDKGCFOONWFH-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.79
Rot. Bonds4

About 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline

4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline (PubChem CID 81182878) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline.

Molecular Properties

Compound Name4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
PubChem CID81182878
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
SMILESCc1ccc(N)c(S(=O)CC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)17-6-7-19-13(9-17)10-20(18)15-8-12(3)4-5-14(15)16/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyPRZDKGCFOONWFH-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.79
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

5-bromo-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
CID 81185212
2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 116622956
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 81191559
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
2-chloro-4-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 81202020
2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533093
3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline
CID 81190289
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfinyl]aniline
CID 82891689
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 64532962
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]propan-1-amine
CID 81200983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline?
The IUPAC name of 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline (CID 81182878) is 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline.
What is the SMILES notation for 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline?
The canonical SMILES for 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline is Cc1ccc(N)c(S(=O)CC2CN(C(C)C)CCO2)c1.
What is the InChIKey of 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline?
The InChIKey is PRZDKGCFOONWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)17-6-7-19-13(9-17)10-20(18)15-8-12(3)4-5-14(15)16/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline?
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline has a molecular weight of 296.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline is sourced from PubChem (CID 81182878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).