N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine

C7H13F3N2O3S — CID 166684096

IUPACN-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
SMILESCNC[C@@H]1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H13F3N2O3S/c1-11-4-6-5-12(2-3-15-6)16(13,14)7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1
InChIKeyLCAWSUWOWBUJIA-ZCFIWIBFSA-N
MW262.25 g/mol
LogP-0.24
Rot. Bonds3

About N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine

N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 166684096) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
PubChem CID166684096
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC NameN-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
SMILESCNC[C@@H]1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H13F3N2O3S/c1-11-4-6-5-12(2-3-15-6)16(13,14)7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1
InChIKeyLCAWSUWOWBUJIA-ZCFIWIBFSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine (CID 166684096) is N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine is CNC[C@@H]1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is LCAWSUWOWBUJIA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-11-4-6-5-12(2-3-15-6)16(13,14)7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 262.25 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 166684096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).