[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol

C11H17NO2S — CID 116912949

IUPAC[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
SMILESCN(C)C(c1cccs1)C1(CO)COC1
InChIInChI=1S/C11H17NO2S/c1-12(2)10(9-4-3-5-15-9)11(6-13)7-14-8-11/h3-5,10,13H,6-8H2,1-2H3
InChIKeyJJZGWTMIRPAZAW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.36
Rot. Bonds4

About [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol

[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116912949) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
PubChem CID116912949
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
SMILESCN(C)C(c1cccs1)C1(CO)COC1
InChIInChI=1S/C11H17NO2S/c1-12(2)10(9-4-3-5-15-9)11(6-13)7-14-8-11/h3-5,10,13H,6-8H2,1-2H3
InChIKeyJJZGWTMIRPAZAW-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-bromothiophen-2-yl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912982
[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912957
N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
CID 116912556
[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116912962
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile
CID 116911928
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62384640
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol
CID 111975961

Frequently Asked Questions

What is the IUPAC name of [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol (CID 116912949) is [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol is CN(C)C(c1cccs1)C1(CO)COC1.
What is the InChIKey of [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is JJZGWTMIRPAZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12(2)10(9-4-3-5-15-9)11(6-13)7-14-8-11/h3-5,10,13H,6-8H2,1-2H3.
What are the key properties of [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol?
[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116912949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).