(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide

C14H28N2O3S — CID 99824844

IUPAC(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCC[S@](=O)C(C)(C)C)CCO1
InChIInChI=1S/C14H28N2O3S/c1-6-14(5)11-16(8-9-19-14)12(17)15-7-10-20(18)13(2,3)4/h6-11H2,1-5H3,(H,15,17)/t14-,20+/m1/s1
InChIKeyFQRWREJJTKDXPL-VLIAUNLRSA-N
MW304.46 g/mol
LogP1.74
Rot. Bonds4

About (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide

(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide (PubChem CID 99824844) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
PubChem CID99824844
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCC[S@](=O)C(C)(C)C)CCO1
InChIInChI=1S/C14H28N2O3S/c1-6-14(5)11-16(8-9-19-14)12(17)15-7-10-20(18)13(2,3)4/h6-11H2,1-5H3,(H,15,17)/t14-,20+/m1/s1
InChIKeyFQRWREJJTKDXPL-VLIAUNLRSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide
CID 96502385
(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide
CID 99790006
(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 99825070
2-ethyl-2-methyl-N-(oxolan-3-ylmethyl)morpholine-4-carboxamide
CID 86818299
N-(2-tert-butylsulfinylethyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111459110
(2S)-2-ethyl-2-methyl-N-[(4-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857598
(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99825094
(2R)-N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 100658333
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857591
N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
CID 71918287
(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide
CID 124829923

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide (CID 99824844) is (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide is CC[C@]1(C)CN(C(=O)NCC[S@](=O)C(C)(C)C)CCO1.
What is the InChIKey of (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The InChIKey is FQRWREJJTKDXPL-VLIAUNLRSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-6-14(5)11-16(8-9-19-14)12(17)15-7-10-20(18)13(2,3)4/h6-11H2,1-5H3,(H,15,17)/t14-,20+/m1/s1.
What are the key properties of (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99824844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).