2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline

C13H20N2O3S — CID 43388034

IUPAC2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCS(=O)(=O)c1ccccc1NCCN1CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)13-5-3-2-4-12(13)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3
InChIKeyPAQDQHARGAUWSY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.83
Rot. Bonds5

About 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline

2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 43388034) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID43388034
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCS(=O)(=O)c1ccccc1NCCN1CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)13-5-3-2-4-12(13)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3
InChIKeyPAQDQHARGAUWSY-UHFFFAOYSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfonylphenyl)morpholin-4-amine
CID 115279132
4-methylsulfonyl-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 43448000
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 45496623
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 83169171
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
2-butoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806988
1-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80777054
2-methylsulfonyl-N-(oxolan-3-ylmethyl)aniline
CID 43724682
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078
2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 55896392

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline (CID 43388034) is 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline is CS(=O)(=O)c1ccccc1NCCN1CCOCC1.
What is the InChIKey of 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is PAQDQHARGAUWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-19(16,17)13-5-3-2-4-12(13)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline?
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 284.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 43388034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).