2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline

C14H22N2O3S — CID 164630945

IUPAC2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline
SMILESC[C@@H](CN1CCOCC1)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12(11-16-7-9-19-10-8-16)15-13-5-3-4-6-14(13)20(2,17)18/h3-6,12,15H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyDPFGSBJSPHISJQ-LBPRGKRZSA-N
MW298.41 g/mol
LogP1.22
Rot. Bonds5

About 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline

2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline (PubChem CID 164630945) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline
PubChem CID164630945
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline
SMILESC[C@@H](CN1CCOCC1)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12(11-16-7-9-19-10-8-16)15-13-5-3-4-6-14(13)20(2,17)18/h3-6,12,15H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyDPFGSBJSPHISJQ-LBPRGKRZSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline?
The IUPAC name of 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline (CID 164630945) is 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline.
What is the SMILES notation for 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline?
The canonical SMILES for 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline is C[C@@H](CN1CCOCC1)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline?
The InChIKey is DPFGSBJSPHISJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(11-16-7-9-19-10-8-16)15-13-5-3-4-6-14(13)20(2,17)18/h3-6,12,15H,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline?
2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline has a molecular weight of 298.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline is sourced from PubChem (CID 164630945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).