[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol

C18H23NO4S — CID 134712814

IUPAC[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol
SMILESCOc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccsc2)cc1OC
InChIInChI=1S/C18H23NO4S/c1-21-15-4-3-14(9-16(15)22-2)18-17(11-20)23-7-6-19(18)10-13-5-8-24-12-13/h3-5,8-9,12,17-18,20H,6-7,10-11H2,1-2H3/t17-,18-/m1/s1
InChIKeyWTSXUZHTTWEUTD-QZTJIDSGSA-N
MW349.45 g/mol
LogP2.70
Rot. Bonds6

About [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol

[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol (PubChem CID 134712814) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol
PubChem CID134712814
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol
SMILESCOc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccsc2)cc1OC
InChIInChI=1S/C18H23NO4S/c1-21-15-4-3-14(9-16(15)22-2)18-17(11-20)23-7-6-19(18)10-13-5-8-24-12-13/h3-5,8-9,12,17-18,20H,6-7,10-11H2,1-2H3/t17-,18-/m1/s1
InChIKeyWTSXUZHTTWEUTD-QZTJIDSGSA-N
XLogP2.70
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol with MolForge

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Related Compounds

6,7-dimethoxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 2173545
2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(2-thienyloxy)-
CID 3059113
2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-thienyloxy)-
CID 3059116
2-Propanol, 1-(3,4-dimethoxyphenethylamino)-3-(5-methyl-3-thienyloxy)-
CID 3070517
7-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium iodide
CID 11155021
7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 11245156
7-[(3,4-dimethoxyphenyl)methyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 11267794
7-[(3,4-dimethoxyphenyl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium iodide
CID 11328630
2,6-Dimethoxy-4-{[2-(thiophen-2-YL)azepan-1-YL]methyl}phenol
CID 46366495
1-[2-Methoxy-5-({[(5-methyl-2-thienyl)methyl]amino}methyl)phenoxy]-3-(1-piperidinyl)-2-propanol
CID 45244371
Cambridge id 5259648
CID 3772747
6,7-dimethoxy-2-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791453

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol (CID 134712814) is [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol is COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccsc2)cc1OC.
What is the InChIKey of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol?
The InChIKey is WTSXUZHTTWEUTD-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-21-15-4-3-14(9-16(15)22-2)18-17(11-20)23-7-6-19(18)10-13-5-8-24-12-13/h3-5,8-9,12,17-18,20H,6-7,10-11H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol?
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol has a molecular weight of 349.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 134712814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).