3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine

C12H25NO2S — CID 103409591

IUPAC3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCC1(C)CCCS1
InChIInChI=1S/C12H25NO2S/c1-12(5-3-10-16-12)11-13-6-4-7-15-9-8-14-2/h13H,3-11H2,1-2H3
InChIKeyWYGRBBPPSVSSFN-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.91
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine

3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine (PubChem CID 103409591) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
PubChem CID103409591
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCC1(C)CCCS1
InChIInChI=1S/C12H25NO2S/c1-12(5-3-10-16-12)11-13-6-4-7-15-9-8-14-2/h13H,3-11H2,1-2H3
InChIKeyWYGRBBPPSVSSFN-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.91
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

N-[(2-methylthiolan-2-yl)methyl]decan-1-amine
CID 80721703
4-[(2-methylthiolan-2-yl)methylamino]butanoic acid
CID 80721729
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682
N-[(2-methylthiolan-2-yl)methyl]hept-6-en-1-amine
CID 107006980
N-[(2-methylthiolan-2-yl)methyl]but-3-en-1-amine
CID 80721859
1-(3-ethoxypropyl)-3-[(2-methylthiolan-2-yl)methyl]thiourea
CID 115693766
4-[2-[(2-methylthiolan-2-yl)methylamino]ethoxy]benzoic acid
CID 103259878
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 115728210
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
2-[[(2-methoxyethylamino)-[(2-methylthiolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110046829

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine (CID 103409591) is 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine is COCCOCCCNCC1(C)CCCS1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine?
The InChIKey is WYGRBBPPSVSSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(5-3-10-16-12)11-13-6-4-7-15-9-8-14-2/h13H,3-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 103409591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).