[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol

C13H21NO2S — CID 55241090

IUPAC[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
SMILESCN(Cc1ccsc1)CC1(CO)CCCOC1
InChIInChI=1S/C13H21NO2S/c1-14(7-12-3-6-17-8-12)9-13(10-15)4-2-5-16-11-13/h3,6,8,15H,2,4-5,7,9-11H2,1H3
InChIKeyMYEHQBVXRHVKGL-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.97
Rot. Bonds5

About [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol

[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol (PubChem CID 55241090) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
PubChem CID55241090
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
SMILESCN(Cc1ccsc1)CC1(CO)CCCOC1
InChIInChI=1S/C13H21NO2S/c1-14(7-12-3-6-17-8-12)9-13(10-15)4-2-5-16-11-13/h3,6,8,15H,2,4-5,7,9-11H2,1H3
InChIKeyMYEHQBVXRHVKGL-UHFFFAOYSA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol with MolForge

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Related Compounds

N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741009
[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
CID 63747607
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
[3-[[methyl(2-methylsulfonylethyl)amino]methyl]oxan-3-yl]methanol
CID 79858292
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol (CID 55241090) is [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol is CN(Cc1ccsc1)CC1(CO)CCCOC1.
What is the InChIKey of [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol?
The InChIKey is MYEHQBVXRHVKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-14(7-12-3-6-17-8-12)9-13(10-15)4-2-5-16-11-13/h3,6,8,15H,2,4-5,7,9-11H2,1H3.
What are the key properties of [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol?
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol has a molecular weight of 255.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol is sourced from PubChem (CID 55241090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).