(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol

C15H23NO2S — CID 125131294

IUPAC(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol
SMILESC=CCC[C@H](O)CN1C[C@@H](C)O[C@H](c2ccsc2)C1
InChIInChI=1S/C15H23NO2S/c1-3-4-5-14(17)9-16-8-12(2)18-15(10-16)13-6-7-19-11-13/h3,6-7,11-12,14-15,17H,1,4-5,8-10H2,2H3/t12-,14+,15+/m1/s1
InChIKeyDOPMHGXLZZRMDP-SNPRPXQTSA-N
MW281.42 g/mol
LogP2.84
Rot. Bonds6

About (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol

(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol (PubChem CID 125131294) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol
PubChem CID125131294
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol
SMILESC=CCC[C@H](O)CN1C[C@@H](C)O[C@H](c2ccsc2)C1
InChIInChI=1S/C15H23NO2S/c1-3-4-5-14(17)9-16-8-12(2)18-15(10-16)13-6-7-19-11-13/h3,6-7,11-12,14-15,17H,1,4-5,8-10H2,2H3/t12-,14+,15+/m1/s1
InChIKeyDOPMHGXLZZRMDP-SNPRPXQTSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol with MolForge

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Related Compounds

4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid
CID 124729091
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol
CID 100730462
(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
CID 100894135
2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
CID 71919365
2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
CID 119810944
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
(3-aminocyclopentyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 119810914
[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124694505
(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
CID 100899686

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol?
The IUPAC name of (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol (CID 125131294) is (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol.
What is the SMILES notation for (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol?
The canonical SMILES for (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol is C=CCC[C@H](O)CN1C[C@@H](C)O[C@H](c2ccsc2)C1.
What is the InChIKey of (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol?
The InChIKey is DOPMHGXLZZRMDP-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-5-14(17)9-16-8-12(2)18-15(10-16)13-6-7-19-11-13/h3,6-7,11-12,14-15,17H,1,4-5,8-10H2,2H3/t12-,14+,15+/m1/s1.
What are the key properties of (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol?
(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol has a molecular weight of 281.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol is sourced from PubChem (CID 125131294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).