6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

C9H17F3N2O4S — CID 114809892

IUPAC6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESCC1(C)CN(S(=O)(=O)NCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C9H17F3N2O4S/c1-8(2)6-14(3-7(4-15)18-8)19(16,17)13-5-9(10,11)12/h7,13,15H,3-6H2,1-2H3
InChIKeySIWQUINXCQSSQN-UHFFFAOYSA-N
MW306.31 g/mol
LogP-0.15
Rot. Bonds4

About 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (PubChem CID 114809892) has the molecular formula C9H17F3N2O4S and a molecular weight of 306.31 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
PubChem CID114809892
Molecular FormulaC9H17F3N2O4S
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Name6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESCC1(C)CN(S(=O)(=O)NCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C9H17F3N2O4S/c1-8(2)6-14(3-7(4-15)18-8)19(16,17)13-5-9(10,11)12/h7,13,15H,3-6H2,1-2H3
InChIKeySIWQUINXCQSSQN-UHFFFAOYSA-N
XLogP-0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (CID 114809892) is 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.
What is the SMILES notation for 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The canonical SMILES for 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is CC1(C)CN(S(=O)(=O)NCC(F)(F)F)CC(CO)O1.
What is the InChIKey of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The InChIKey is SIWQUINXCQSSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O4S/c1-8(2)6-14(3-7(4-15)18-8)19(16,17)13-5-9(10,11)12/h7,13,15H,3-6H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide has a molecular weight of 306.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 114809892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).