1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide

C10H16F6N2O3S — CID 58855483

IUPAC1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
SMILESCC(C(F)(F)F)(C(F)(F)F)S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C10H16F6N2O3S/c1-8(9(11,12)13,10(14,15)16)22(19,20)17-2-3-18-4-6-21-7-5-18/h17H,2-7H2,1H3
InChIKeyCAPVWGRQDKOMTG-UHFFFAOYSA-N
MW358.30 g/mol
LogP1.12
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide

1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide (PubChem CID 58855483) has the molecular formula C10H16F6N2O3S and a molecular weight of 358.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
PubChem CID58855483
Molecular FormulaC10H16F6N2O3S
Molecular Weight358.30 g/mol
Exact Mass358.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
SMILESCC(C(F)(F)F)(C(F)(F)F)S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C10H16F6N2O3S/c1-8(9(11,12)13,10(14,15)16)22(19,20)17-2-3-18-4-6-21-7-5-18/h17H,2-7H2,1H3
InChIKeyCAPVWGRQDKOMTG-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide (CID 58855483) is 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide is CC(C(F)(F)F)(C(F)(F)F)S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The InChIKey is CAPVWGRQDKOMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O3S/c1-8(9(11,12)13,10(14,15)16)22(19,20)17-2-3-18-4-6-21-7-5-18/h17H,2-7H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide has a molecular weight of 358.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 58855483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).