1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine

C13H18F2N2O3S — CID 83104312

IUPAC1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H18F2N2O3S/c1-16-8-11-9-20-7-6-17(11)10-2-4-12(5-3-10)21(18,19)13(14)15/h2-5,11,13,16H,6-9H2,1H3
InChIKeyQKLRDSYCJABMCL-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.11
Rot. Bonds5

About 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine

1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine (PubChem CID 83104312) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine
PubChem CID83104312
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H18F2N2O3S/c1-16-8-11-9-20-7-6-17(11)10-2-4-12(5-3-10)21(18,19)13(14)15/h2-5,11,13,16H,6-9H2,1H3
InChIKeyQKLRDSYCJABMCL-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine (CID 83104312) is 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine is CNCC1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine?
The InChIKey is QKLRDSYCJABMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-16-8-11-9-20-7-6-17(11)10-2-4-12(5-3-10)21(18,19)13(14)15/h2-5,11,13,16H,6-9H2,1H3.
What are the key properties of 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine?
1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine has a molecular weight of 320.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83104312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).