3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide

C10H16F6N2O3S — CID 58855437

IUPAC3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide
SMILESO=S(=O)(CC(C(F)(F)F)C(F)(F)F)NCCN1CCOCC1
InChIInChI=1S/C10H16F6N2O3S/c11-9(12,13)8(10(14,15)16)7-22(19,20)17-1-2-18-3-5-21-6-4-18/h8,17H,1-7H2
InChIKeyGJTFOOMBDCRGRA-UHFFFAOYSA-N
MW358.30 g/mol
LogP0.98
Rot. Bonds6

About 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide

3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide (PubChem CID 58855437) has the molecular formula C10H16F6N2O3S and a molecular weight of 358.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide
PubChem CID58855437
Molecular FormulaC10H16F6N2O3S
Molecular Weight358.30 g/mol
Exact Mass358.08
IUPAC Name3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide
SMILESO=S(=O)(CC(C(F)(F)F)C(F)(F)F)NCCN1CCOCC1
InChIInChI=1S/C10H16F6N2O3S/c11-9(12,13)8(10(14,15)16)7-22(19,20)17-1-2-18-3-5-21-6-4-18/h8,17H,1-7H2
InChIKeyGJTFOOMBDCRGRA-UHFFFAOYSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
CID 58855366
3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
CID 58855380
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
1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide
CID 58855411
1,1,2,2,3,3,4,4-octafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
CID 58855419
1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
CID 58855423
1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide
CID 58855430
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide
CID 58855441
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 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide (CID 58855437) is 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide is O=S(=O)(CC(C(F)(F)F)C(F)(F)F)NCCN1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
The InChIKey is GJTFOOMBDCRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O3S/c11-9(12,13)8(10(14,15)16)7-22(19,20)17-1-2-18-3-5-21-6-4-18/h8,17H,1-7H2.
What are the key properties of 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide has a molecular weight of 358.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide is sourced from PubChem (CID 58855437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).