1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide

C8H15F3N2O3S — CID 20532969

IUPAC1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c9-8(10,11)17(14,15)12-2-1-3-13-4-6-16-7-5-13/h12H,1-7H2
InChIKeyGFBNCOTZDSFPJM-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.15
Rot. Bonds5

About 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide

1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide (PubChem CID 20532969) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide
PubChem CID20532969
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c9-8(10,11)17(14,15)12-2-1-3-13-4-6-16-7-5-13/h12H,1-7H2
InChIKeyGFBNCOTZDSFPJM-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Morpholine;trifluoromethanesulfonamide
CID 14407644
N-(2-Morpholinoethyl)Trifluoromethanesulfonamide
CID 20513743
1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide
CID 20571275
3-Morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide
CID 20807106
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
1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide
CID 58855486
1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 58855488
1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 58855519

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide (CID 20532969) is 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide is O=S(=O)(NCCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide?
The InChIKey is GFBNCOTZDSFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c9-8(10,11)17(14,15)12-2-1-3-13-4-6-16-7-5-13/h12H,1-7H2.
What are the key properties of 1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-morpholin-4-ylpropyl)methanesulfonamide has a molecular weight of 276.28 g/mol, XLogP of 0.15, 5 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-(3-morpholin-4-ylpropyl)methanesulfonamide is sourced from PubChem (CID 20532969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).