N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide

C10H20F2N2O4S — CID 107483606

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(CCO)CC(F)F)CC(C)O1
InChIInChI=1S/C10H20F2N2O4S/c1-8-5-14(6-9(2)18-8)19(16,17)13(3-4-15)7-10(11)12/h8-10,15H,3-7H2,1-2H3
InChIKeyMPUMAOUZKIOVGU-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.10
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 107483606) has the molecular formula C10H20F2N2O4S and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID107483606
Molecular FormulaC10H20F2N2O4S
Molecular Weight302.34 g/mol
Exact Mass302.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(CCO)CC(F)F)CC(C)O1
InChIInChI=1S/C10H20F2N2O4S/c1-8-5-14(6-9(2)18-8)19(16,17)13(3-4-15)7-10(11)12/h8-10,15H,3-7H2,1-2H3
InChIKeyMPUMAOUZKIOVGU-UHFFFAOYSA-N
XLogP-0.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 107483606) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(CCO)CC(F)F)CC(C)O1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is MPUMAOUZKIOVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O4S/c1-8-5-14(6-9(2)18-8)19(16,17)13(3-4-15)7-10(11)12/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 302.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 107483606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).