(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide

C12H24N2O2S — CID 124615607

IUPAC(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](CSC)NC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C12H24N2O2S/c1-5-11(8-17-4)13-12(15)14-6-9(2)16-10(3)7-14/h9-11H,5-8H2,1-4H3,(H,13,15)/t9-,10-,11-/m1/s1
InChIKeyVRUCDFZQGPAGGV-GMTAPVOTSA-N
MW260.40 g/mol
LogP1.95
Rot. Bonds4

About (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide

(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide (PubChem CID 124615607) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide
PubChem CID124615607
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](CSC)NC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C12H24N2O2S/c1-5-11(8-17-4)13-12(15)14-6-9(2)16-10(3)7-14/h9-11H,5-8H2,1-4H3,(H,13,15)/t9-,10-,11-/m1/s1
InChIKeyVRUCDFZQGPAGGV-GMTAPVOTSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide (CID 124615607) is (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide is CC[C@H](CSC)NC(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide?
The InChIKey is VRUCDFZQGPAGGV-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-5-11(8-17-4)13-12(15)14-6-9(2)16-10(3)7-14/h9-11H,5-8H2,1-4H3,(H,13,15)/t9-,10-,11-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide?
(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 124615607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).