(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide

C14H26N2O2S — CID 120936821

IUPAC(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide
SMILESCCSC1CCC(N(C)C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C14H26N2O2S/c1-4-19-12-6-5-11(9-12)16(3)14(17)13-10(2)18-8-7-15-13/h10-13,15H,4-9H2,1-3H3/t10-,11?,12?,13+/m1/s1
InChIKeyLKFSPJRIYIPRDI-XVSSEFHLSA-N
MW286.44 g/mol
LogP1.50
Rot. Bonds4

About (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide

(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120936821) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120936821
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide
SMILESCCSC1CCC(N(C)C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C14H26N2O2S/c1-4-19-12-6-5-11(9-12)16(3)14(17)13-10(2)18-8-7-15-13/h10-13,15H,4-9H2,1-3H3/t10-,11?,12?,13+/m1/s1
InChIKeyLKFSPJRIYIPRDI-XVSSEFHLSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-cyclopentyl-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920305
N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119342642
(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124683336
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
CID 120941555
N-(3-ethylsulfanylcyclopentyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119817015
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
(2R,3S)-N-(cyclobutylmethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930697
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
(2R,3S)-N-(2-cyclohexylethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930037
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 120927935
7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
CID 119816970

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide (CID 120936821) is (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide is CCSC1CCC(N(C)C(=O)[C@H]2NCCO[C@@H]2C)C1.
What is the InChIKey of (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is LKFSPJRIYIPRDI-XVSSEFHLSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-4-19-12-6-5-11(9-12)16(3)14(17)13-10(2)18-8-7-15-13/h10-13,15H,4-9H2,1-3H3/t10-,11?,12?,13+/m1/s1.
What are the key properties of (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide?
(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 120936821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).