[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine

C11H23NO2S — CID 103184863

IUPAC[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine
SMILESCOCCCOCCC1(CN)CCCS1
InChIInChI=1S/C11H23NO2S/c1-13-6-3-7-14-8-5-11(10-12)4-2-9-15-11/h2-10,12H2,1H3
InChIKeyXIOABWUCEJMZPZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.65
Rot. Bonds8

About [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine

[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine (PubChem CID 103184863) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine
PubChem CID103184863
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine
SMILESCOCCCOCCC1(CN)CCCS1
InChIInChI=1S/C11H23NO2S/c1-13-6-3-7-14-8-5-11(10-12)4-2-9-15-11/h2-10,12H2,1H3
InChIKeyXIOABWUCEJMZPZ-UHFFFAOYSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
CID 104568555
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
(2-dodecylthiolan-2-yl)methanamine
CID 83174026
3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol
CID 130515149
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
CID 103185009
2-(3-methoxypropoxy)ethanamine;hydrochloride
CID 86645457
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
2-(3-methoxypropoxy)ethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 103178541
[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine
CID 106734087
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
CID 106797314

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine?
The IUPAC name of [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine (CID 103184863) is [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine.
What is the SMILES notation for [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine?
The canonical SMILES for [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine is COCCCOCCC1(CN)CCCS1.
What is the InChIKey of [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine?
The InChIKey is XIOABWUCEJMZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-13-6-3-7-14-8-5-11(10-12)4-2-9-15-11/h2-10,12H2,1H3.
What are the key properties of [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine?
[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine has a molecular weight of 233.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine is sourced from PubChem (CID 103184863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).