(4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol

C14H23NO2S — CID 929870

IUPAC(4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol
SMILESC[C@H](NC[C@]1(O)CCOC(C)(C)C1)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-11(12-5-4-8-18-12)15-10-14(16)6-7-17-13(2,3)9-14/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyKJRIMWMASAAALK-FZMZJTMJSA-N
MW269.41 g/mol
LogP2.72
Rot. Bonds4

About (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol

(4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol (PubChem CID 929870) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol
PubChem CID929870
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name(4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol
SMILESC[C@H](NC[C@]1(O)CCOC(C)(C)C1)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-11(12-5-4-8-18-12)15-10-14(16)6-7-17-13(2,3)9-14/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyKJRIMWMASAAALK-FZMZJTMJSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

N-{2-[2,2-dimethyl-4-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}-1-(thiophen-2-yl)ethanamine
CID 5033430
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol
CID 3156001
{4H,5H,6H,7H-thieno[2,3-c]pyridin-5-yl}methanol hydrochloride
CID 177798385
2-[(3-Methyl-1-thiophen-2-ylbutyl)amino]propane-1,3-diol
CID 75428432
3-[[1-(3-Methylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 84595781
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
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-N-[1-(thiophen-2-yl)ethyl]heptan-1-amine
CID 4904540
2,2-Dimethyl-4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 2965333
4-[[1-[5-(2-Fluorophenyl)thiophen-2-yl]ethylamino]methyl]oxan-4-ol
CID 112319233
4-[[1-[5-(4-Fluorophenyl)thiophen-2-yl]ethylamino]methyl]oxan-4-ol
CID 112319270

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol?
The IUPAC name of (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol (CID 929870) is (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol?
The canonical SMILES for (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol is C[C@H](NC[C@]1(O)CCOC(C)(C)C1)c1cccs1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol?
The InChIKey is KJRIMWMASAAALK-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(12-5-4-8-18-12)15-10-14(16)6-7-17-13(2,3)9-14/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol?
(4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol has a molecular weight of 269.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 929870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).