4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol

C12H19NO2S — CID 80526373

IUPAC4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
SMILESCC(C)(CNC1COCC1O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2,11-4-3-5-16-11)8-13-9-6-15-7-10(9)14/h3-5,9-10,13-14H,6-8H2,1-2H3
InChIKeyJDRCGOFYHNUAGE-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.38
Rot. Bonds4

About 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol

4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol (PubChem CID 80526373) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
PubChem CID80526373
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
SMILESCC(C)(CNC1COCC1O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2,11-4-3-5-16-11)8-13-9-6-15-7-10(9)14/h3-5,9-10,13-14H,6-8H2,1-2H3
InChIKeyJDRCGOFYHNUAGE-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526151
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526033
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 80526769
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80526208

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol (CID 80526373) is 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol is CC(C)(CNC1COCC1O)c1cccs1.
What is the InChIKey of 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol?
The InChIKey is JDRCGOFYHNUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,11-4-3-5-16-11)8-13-9-6-15-7-10(9)14/h3-5,9-10,13-14H,6-8H2,1-2H3.
What are the key properties of 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol?
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol has a molecular weight of 241.36 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-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol is sourced from PubChem (CID 80526373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).