3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol

C13H21NO2S — CID 107268149

IUPAC3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCCc1ccc(CNCC2(O)CCOC2C)s1
InChIInChI=1S/C13H21NO2S/c1-3-11-4-5-12(17-11)8-14-9-13(15)6-7-16-10(13)2/h4-5,10,14-15H,3,6-9H2,1-2H3
InChIKeyUGRPGBJJIXHRNO-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.94
Rot. Bonds5

About 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107268149) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107268149
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCCc1ccc(CNCC2(O)CCOC2C)s1
InChIInChI=1S/C13H21NO2S/c1-3-11-4-5-12(17-11)8-14-9-13(15)6-7-16-10(13)2/h4-5,10,14-15H,3,6-9H2,1-2H3
InChIKeyUGRPGBJJIXHRNO-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

1-[(2-Methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 3918563
3-({(2-Methoxyethyl)[(5-methyl-2-thienyl)methyl]amino}methyl)pyrrolidin-3-ol
CID 70743337
3-[[1-(3-Methylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 84595781
(3S)-1-[(5-ethylthiophen-2-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 124254379
rac-(3S,4S)-4-isopropoxy-1-[(5-methyl-2-thienyl)methyl]pyrrolidin-3-ol
CID 129610925
2,2-Dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 2965333
3-[[[5-(Trifluoromethyl)thiophen-3-yl]methylamino]methyl]oxolan-3-ol
CID 132322472
1-[(2-Methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
CID 24713512
(4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 899113
(4R)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol
CID 929868
(4R)-2,2-dimethyl-4-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol
CID 929869
(4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol
CID 929870

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol (CID 107268149) is 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol is CCc1ccc(CNCC2(O)CCOC2C)s1.
What is the InChIKey of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is UGRPGBJJIXHRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-11-4-5-12(17-11)8-14-9-13(15)6-7-16-10(13)2/h4-5,10,14-15H,3,6-9H2,1-2H3.
What are the key properties of 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 255.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).