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

C9H18F3N3O3S — CID 114813046

IUPAC6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESCC1(C)CN(S(=O)(=O)NCC(F)(F)F)CC(CN)O1
InChIInChI=1S/C9H18F3N3O3S/c1-8(2)6-15(4-7(3-13)18-8)19(16,17)14-5-9(10,11)12/h7,14H,3-6,13H2,1-2H3
InChIKeySRUMVJMUZNXYBJ-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.18
Rot. Bonds4

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

6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (PubChem CID 114813046) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
PubChem CID114813046
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC Name6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESCC1(C)CN(S(=O)(=O)NCC(F)(F)F)CC(CN)O1
InChIInChI=1S/C9H18F3N3O3S/c1-8(2)6-15(4-7(3-13)18-8)19(16,17)14-5-9(10,11)12/h7,14H,3-6,13H2,1-2H3
InChIKeySRUMVJMUZNXYBJ-UHFFFAOYSA-N
XLogP-0.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The IUPAC name of 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (CID 114813046) is 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is CC1(C)CN(S(=O)(=O)NCC(F)(F)F)CC(CN)O1.
What is the InChIKey of 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The InChIKey is SRUMVJMUZNXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-8(2)6-15(4-7(3-13)18-8)19(16,17)14-5-9(10,11)12/h7,14H,3-6,13H2,1-2H3.
What are the key properties of 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide has a molecular weight of 305.32 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 114813046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).