(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

C16H26N2O3S — CID 99823805

IUPAC(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)N[C@H](C)c2cc(C)sc2C)C[C@H](C)O1
InChIInChI=1S/C16H26N2O3S/c1-10-7-18(8-14(21-10)9-20-5)16(19)17-12(3)15-6-11(2)22-13(15)4/h6,10,12,14H,7-9H2,1-5H3,(H,17,19)/t10-,12+,14-/m0/s1
InChIKeyLXCUVAOUGKNHDM-SUHUHFCYSA-N
MW326.46 g/mol
LogP2.87
Rot. Bonds4

About (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 99823805) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID99823805
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)N[C@H](C)c2cc(C)sc2C)C[C@H](C)O1
InChIInChI=1S/C16H26N2O3S/c1-10-7-18(8-14(21-10)9-20-5)16(19)17-12(3)15-6-11(2)22-13(15)4/h6,10,12,14H,7-9H2,1-5H3,(H,17,19)/t10-,12+,14-/m0/s1
InChIKeyLXCUVAOUGKNHDM-SUHUHFCYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (CID 99823805) is (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is COC[C@@H]1CN(C(=O)N[C@H](C)c2cc(C)sc2C)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is LXCUVAOUGKNHDM-SUHUHFCYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-10-7-18(8-14(21-10)9-20-5)16(19)17-12(3)15-6-11(2)22-13(15)4/h6,10,12,14H,7-9H2,1-5H3,(H,17,19)/t10-,12+,14-/m0/s1.
What are the key properties of (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99823805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).