2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline

C16H26N2O3S — CID 99858133

IUPAC2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NC[C@@H](C)N1CCOC[C@@H]1C
InChIInChI=1S/C16H26N2O3S/c1-4-22(19,20)16-8-6-5-7-15(16)17-11-13(2)18-9-10-21-12-14(18)3/h5-8,13-14,17H,4,9-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyYXGBXWQJNYMMHI-KGLIPLIRSA-N
MW326.46 g/mol
LogP2.00
Rot. Bonds6

About 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline

2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline (PubChem CID 99858133) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline
PubChem CID99858133
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NC[C@@H](C)N1CCOC[C@@H]1C
InChIInChI=1S/C16H26N2O3S/c1-4-22(19,20)16-8-6-5-7-15(16)17-11-13(2)18-9-10-21-12-14(18)3/h5-8,13-14,17H,4,9-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyYXGBXWQJNYMMHI-KGLIPLIRSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline (CID 99858133) is 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline is CCS(=O)(=O)c1ccccc1NC[C@@H](C)N1CCOC[C@@H]1C.
What is the InChIKey of 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline?
The InChIKey is YXGBXWQJNYMMHI-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-22(19,20)16-8-6-5-7-15(16)17-11-13(2)18-9-10-21-12-14(18)3/h5-8,13-14,17H,4,9-12H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline?
2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline has a molecular weight of 326.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline is sourced from PubChem (CID 99858133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).