2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol

C14H23NO2S — CID 107270600

IUPAC2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
SMILESCC(C)C(NCC1(O)CCOC1C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-10(2)13(12-5-4-8-18-12)15-9-14(16)6-7-17-11(14)3/h4-5,8,10-11,13,15-16H,6-7,9H2,1-3H3
InChIKeyVYHPWQNQHSLJLI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.57
Rot. Bonds5

About 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol (PubChem CID 107270600) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
PubChem CID107270600
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
SMILESCC(C)C(NCC1(O)CCOC1C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-10(2)13(12-5-4-8-18-12)15-9-14(16)6-7-17-11(14)3/h4-5,8,10-11,13,15-16H,6-7,9H2,1-3H3
InChIKeyVYHPWQNQHSLJLI-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclopentyl]methanol
CID 113293621
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81413063
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 100735307
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol (CID 107270600) is 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol is CC(C)C(NCC1(O)CCOC1C)c1cccs1.
What is the InChIKey of 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol?
The InChIKey is VYHPWQNQHSLJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(2)13(12-5-4-8-18-12)15-9-14(16)6-7-17-11(14)3/h4-5,8,10-11,13,15-16H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol has a molecular weight of 269.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).