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

C13H21NO2S — CID 899113

IUPAC(4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
SMILESCC1(C)C[C@@](O)(CNCc2cccs2)CCO1
InChIInChI=1S/C13H21NO2S/c1-12(2)9-13(15,5-6-16-12)10-14-8-11-4-3-7-17-11/h3-4,7,14-15H,5-6,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBEABZSYATIUELP-CYBMUJFWSA-N
MW255.38 g/mol
LogP2.16
Rot. Bonds4

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

(4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol (PubChem CID 899113) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
PubChem CID899113
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name(4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
SMILESCC1(C)C[C@@](O)(CNCc2cccs2)CCO1
InChIInChI=1S/C13H21NO2S/c1-12(2)9-13(15,5-6-16-12)10-14-8-11-4-3-7-17-11/h3-4,7,14-15H,5-6,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBEABZSYATIUELP-CYBMUJFWSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-[2,2-dimethyl-4-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}-1-(thiophen-2-yl)ethanamine
CID 5033430
3-[[1-(3-Methylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 84595781
1-[(4-Hydroxyoxan-4-yl)methyl]-1-methyl-3-[(5-methylthiophen-2-yl)methyl]urea
CID 100631708
5,5-Dimethyl-2-(thiophen-2-ylmethylamino)hexane-1,4-diol
CID 121589439
4-[2-methyl-1-[[(1S)-1-(5-methylthiophen-3-yl)ethyl]amino]propan-2-yl]oxan-4-ol
CID 164631903
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-N-(thiophen-2-ylmethyl)heptan-1-amine
CID 4975210
2,2-Dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 2965333
4-[[(4-Fluoro-3-thiophen-2-ylphenyl)methylamino]methyl]oxan-4-ol
CID 110935715
4-[[[5-(3-Fluorophenyl)thiophen-2-yl]methylamino]methyl]oxan-4-ol
CID 110935731
4-[[[5-(4-Fluorophenyl)thiophen-2-yl]methylamino]methyl]oxan-4-ol
CID 119115035
4-[[[5-(2-Fluorophenyl)thiophen-2-yl]methylamino]methyl]oxan-4-ol
CID 119115039
N'-[(2,2-dimethyloxan-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 20896512

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
The IUPAC name of (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol (CID 899113) is (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
The canonical SMILES for (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol is CC1(C)C[C@@](O)(CNCc2cccs2)CCO1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
The InChIKey is BEABZSYATIUELP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-12(2)9-13(15,5-6-16-12)10-14-8-11-4-3-7-17-11/h3-4,7,14-15H,5-6,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol?
(4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol has a molecular weight of 255.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 899113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).