N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide

C9H18F2N2O4S — CID 113318771

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(O)C(F)F)CC(C)O1
InChIInChI=1S/C9H18F2N2O4S/c1-6-4-13(5-7(2)17-6)18(15,16)12-3-8(14)9(10)11/h6-9,12,14H,3-5H2,1-2H3
InChIKeyYORJBOSMZGDSLM-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.44
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 113318771) has the molecular formula C9H18F2N2O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID113318771
Molecular FormulaC9H18F2N2O4S
Molecular Weight288.32 g/mol
Exact Mass288.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(O)C(F)F)CC(C)O1
InChIInChI=1S/C9H18F2N2O4S/c1-6-4-13(5-7(2)17-6)18(15,16)12-3-8(14)9(10)11/h6-9,12,14H,3-5H2,1-2H3
InChIKeyYORJBOSMZGDSLM-UHFFFAOYSA-N
XLogP-0.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 113318771) is N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCC(O)C(F)F)CC(C)O1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is YORJBOSMZGDSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O4S/c1-6-4-13(5-7(2)17-6)18(15,16)12-3-8(14)9(10)11/h6-9,12,14H,3-5H2,1-2H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 288.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 113318771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).