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

C7H14F2N2O3S — CID 58855488

IUPAC1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)F
InChIInChI=1S/C7H14F2N2O3S/c8-7(9)15(12,13)10-1-2-11-3-5-14-6-4-11/h7,10H,1-6H2
InChIKeyPWADCSMPVKICSC-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.54
Rot. Bonds5

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

1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 58855488) has the molecular formula C7H14F2N2O3S and a molecular weight of 244.26 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID58855488
Molecular FormulaC7H14F2N2O3S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)F
InChIInChI=1S/C7H14F2N2O3S/c8-7(9)15(12,13)10-1-2-11-3-5-14-6-4-11/h7,10H,1-6H2
InChIKeyPWADCSMPVKICSC-UHFFFAOYSA-N
XLogP-0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 58855488) is 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is PWADCSMPVKICSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3S/c8-7(9)15(12,13)10-1-2-11-3-5-14-6-4-11/h7,10H,1-6H2.
What are the key properties of 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide?
1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 244.26 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 58855488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).