4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol

C11H17NO2S — CID 78928808

IUPAC4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2cccs2)CCOCC1
InChIInChI=1S/C11H17NO2S/c13-11(3-5-14-6-4-11)9-12-8-10-2-1-7-15-10/h1-2,7,12-13H,3-6,8-9H2
InChIKeyUWSQPKFYTSOFQI-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.38
Rot. Bonds4

About 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol

4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol (PubChem CID 78928808) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
PubChem CID78928808
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2cccs2)CCOCC1
InChIInChI=1S/C11H17NO2S/c13-11(3-5-14-6-4-11)9-12-8-10-2-1-7-15-10/h1-2,7,12-13H,3-6,8-9H2
InChIKeyUWSQPKFYTSOFQI-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655467
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol
CID 78928753
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
2-[5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82886529
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]oxan-4-ol
CID 110935700

Frequently Asked Questions

What is the IUPAC name of 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol (CID 78928808) is 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol is OC1(CNCc2cccs2)CCOCC1.
What is the InChIKey of 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
The InChIKey is UWSQPKFYTSOFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-11(3-5-14-6-4-11)9-12-8-10-2-1-7-15-10/h1-2,7,12-13H,3-6,8-9H2.
What are the key properties of 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol has a molecular weight of 227.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 78928808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).