N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide

C11H21FN2O4S — CID 138019924

IUPACN-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
SMILESCC(C)(F)CNC(=O)N1CCOC(CS(C)(=O)=O)C1
InChIInChI=1S/C11H21FN2O4S/c1-11(2,12)8-13-10(15)14-4-5-18-9(6-14)7-19(3,16)17/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyUZSKUEBCMURDIH-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.19
Rot. Bonds4

About N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide

N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide (PubChem CID 138019924) has the molecular formula C11H21FN2O4S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
PubChem CID138019924
Molecular FormulaC11H21FN2O4S
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC NameN-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
SMILESCC(C)(F)CNC(=O)N1CCOC(CS(C)(=O)=O)C1
InChIInChI=1S/C11H21FN2O4S/c1-11(2,12)8-13-10(15)14-4-5-18-9(6-14)7-19(3,16)17/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyUZSKUEBCMURDIH-UHFFFAOYSA-N
XLogP0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide (CID 138019924) is N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide is CC(C)(F)CNC(=O)N1CCOC(CS(C)(=O)=O)C1.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The InChIKey is UZSKUEBCMURDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O4S/c1-11(2,12)8-13-10(15)14-4-5-18-9(6-14)7-19(3,16)17/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 138019924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).