3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol

C11H19NO3S — CID 46995993

IUPAC3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
SMILESCOCCN(Cc1cccs1)CC(O)CO
InChIInChI=1S/C11H19NO3S/c1-15-5-4-12(7-10(14)9-13)8-11-3-2-6-16-11/h2-3,6,10,13-14H,4-5,7-9H2,1H3
InChIKeyUOIGTANIOATKNJ-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.55
Rot. Bonds8

About 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol

3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol (PubChem CID 46995993) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
PubChem CID46995993
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
SMILESCOCCN(Cc1cccs1)CC(O)CO
InChIInChI=1S/C11H19NO3S/c1-15-5-4-12(7-10(14)9-13)8-11-3-2-6-16-11/h2-3,6,10,13-14H,4-5,7-9H2,1H3
InChIKeyUOIGTANIOATKNJ-UHFFFAOYSA-N
XLogP0.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161338
(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
CID 24713400
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 24713399
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 46992213
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613694
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol (CID 46995993) is 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol is COCCN(Cc1cccs1)CC(O)CO.
What is the InChIKey of 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol?
The InChIKey is UOIGTANIOATKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-15-5-4-12(7-10(14)9-13)8-11-3-2-6-16-11/h2-3,6,10,13-14H,4-5,7-9H2,1H3.
What are the key properties of 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol?
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol has a molecular weight of 245.34 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol is sourced from PubChem (CID 46995993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).