1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide

C7H13F3N2O3S — CID 20513743

IUPAC1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)16(13,14)11-1-2-12-3-5-15-6-4-12/h11H,1-6H2
InChIKeyTYSJJYWEDMLJSH-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.24
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide

1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 20513743) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID20513743
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)16(13,14)11-1-2-12-3-5-15-6-4-12/h11H,1-6H2
InChIKeyTYSJJYWEDMLJSH-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

Morpholin-4-ium trifluoromethanesulphonate
CID 2778513
Morpholine;trifluoromethanesulfonamide
CID 14407644
4-Methylmorpholin-4-ium;trifluoromethanesulfonate
CID 20262710
N-(3-morpholinopropyl)trifluoromethanesulfonamide
CID 20532969
Morpholinium trifluoromethanesulfonamide
CID 21243367
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
CID 58855366
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
CID 58855402
1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 58855403
1,1,2,2,3,3,4,4-octafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
CID 58855419
1,1,2,2,3,3,4,4,6,6,7,7,7-tridecafluoro-N-(2-morpholin-4-ylethyl)heptane-1-sulfonamide
CID 58855448
1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide
CID 58855458
1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
CID 58855483

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 20513743) is 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is TYSJJYWEDMLJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)16(13,14)11-1-2-12-3-5-15-6-4-12/h11H,1-6H2.
What are the key properties of 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 262.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 20513743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).