2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol

C11H17NO3S — CID 61023575

IUPAC2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCC1COCCO1)c1cccs1
InChIInChI=1S/C11H17NO3S/c13-10(11-2-1-5-16-11)7-12-6-9-8-14-3-4-15-9/h1-2,5,9-10,12-13H,3-4,6-8H2
InChIKeyNMLNGYLFNYQOBH-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.79
Rot. Bonds5

About 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol

2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol (PubChem CID 61023575) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol
PubChem CID61023575
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCC1COCCO1)c1cccs1
InChIInChI=1S/C11H17NO3S/c13-10(11-2-1-5-16-11)7-12-6-9-8-14-3-4-15-9/h1-2,5,9-10,12-13H,3-4,6-8H2
InChIKeyNMLNGYLFNYQOBH-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
CID 61020491
2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol
CID 114135927
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 97013902
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 94652918
1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63002116
N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62384640
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
1-(1,4-dioxan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 51086182
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol (CID 61023575) is 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol is OC(CNCC1COCCO1)c1cccs1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol?
The InChIKey is NMLNGYLFNYQOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-10(11-2-1-5-16-11)7-12-6-9-8-14-3-4-15-9/h1-2,5,9-10,12-13H,3-4,6-8H2.
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol?
2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol has a molecular weight of 243.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 61023575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).