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

C7H13F3N2O3S — CID 20571275

IUPAC1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)16(13,14)12-2-1-6-5-11-3-4-15-6/h6,11-12H,1-5H2
InChIKeyQBTVAHPLZAAWSK-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.20
Rot. Bonds4

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

1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide (PubChem CID 20571275) 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-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide
PubChem CID20571275
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)16(13,14)12-2-1-6-5-11-3-4-15-6/h6,11-12H,1-5H2
InChIKeyQBTVAHPLZAAWSK-UHFFFAOYSA-N
XLogP-0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide (CID 20571275) is 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide is O=S(=O)(NCCC1CNCCO1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide?
The InChIKey is QBTVAHPLZAAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)16(13,14)12-2-1-6-5-11-3-4-15-6/h6,11-12H,1-5H2.
What are the key properties of 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide has a molecular weight of 262.25 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 20571275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).