(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide

C15H24N2O2S — CID 95967466

IUPAC(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)NC[C@H](C)Cc1cccs1
InChIInChI=1S/C15H24N2O2S/c1-3-13-11-19-7-6-17(13)15(18)16-10-12(2)9-14-5-4-8-20-14/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyJBHKWDXOIHWPCT-OLZOCXBDSA-N
MW296.44 g/mol
LogP2.75
Rot. Bonds5

About (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide

(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide (PubChem CID 95967466) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
PubChem CID95967466
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)NC[C@H](C)Cc1cccs1
InChIInChI=1S/C15H24N2O2S/c1-3-13-11-19-7-6-17(13)15(18)16-10-12(2)9-14-5-4-8-20-14/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyJBHKWDXOIHWPCT-OLZOCXBDSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-methyl-3-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 71867990
(2R)-2-(hydroxymethyl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 95967500
(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967512
(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
CID 125150196
1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 71990557
(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide
CID 122154833
1-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
CID 124744508
3-[[(4-methylphenyl)carbamoylamino]methyl]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 166183031
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507839
(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 95867579
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
CID 120501636

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide (CID 95967466) is (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide is CC[C@H]1COCCN1C(=O)NC[C@H](C)Cc1cccs1.
What is the InChIKey of (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide?
The InChIKey is JBHKWDXOIHWPCT-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-13-11-19-7-6-17(13)15(18)16-10-12(2)9-14-5-4-8-20-14/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3,(H,16,18)/t12-,13+/m1/s1.
What are the key properties of (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide?
(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide is sourced from PubChem (CID 95967466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).