N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine

C10H21NO2S — CID 82710921

IUPACN-(2-methoxyethoxy)-4,4-dimethylthian-3-amine
SMILESCOCCONC1CSCCC1(C)C
InChIInChI=1S/C10H21NO2S/c1-10(2)4-7-14-8-9(10)11-13-6-5-12-3/h9,11H,4-8H2,1-3H3
InChIKeyAWZUHOWBQSIYBG-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.69
Rot. Bonds5

About N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine

N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine (PubChem CID 82710921) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-4,4-dimethylthian-3-amine
PubChem CID82710921
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-methoxyethoxy)-4,4-dimethylthian-3-amine
SMILESCOCCONC1CSCCC1(C)C
InChIInChI=1S/C10H21NO2S/c1-10(2)4-7-14-8-9(10)11-13-6-5-12-3/h9,11H,4-8H2,1-3H3
InChIKeyAWZUHOWBQSIYBG-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-(2,2,2-trifluoroethoxy)thian-3-amine
CID 82712386
N-methoxy-4,4-dimethylthian-3-amine
CID 82706103
N-ethoxy-4,4-dimethylthian-3-amine
CID 82706713
5,5-dimethyl-N-(2-methylpropoxy)thian-3-amine
CID 82708882
N-ethoxy-5,5-dimethylthian-3-amine
CID 82709852
4,4-dimethyl-N-(2-methylpropoxy)thian-3-amine
CID 82710023
N-(2-methoxyethoxy)-5,5-dimethylthian-3-amine
CID 82711790
N-(2-methoxyethoxy)thian-4-amine
CID 82712123
N-(2-methoxyethoxy)-2-methylthian-3-amine
CID 82714307
N-(2-methoxyethoxy)thian-3-amine
CID 82714641
4,4-dimethyl-N-[(2-methylpropan-2-yl)oxy]thian-3-amine
CID 82719855
5,5-dimethyl-N-propan-2-yloxythian-3-amine
CID 130702667

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine?
The IUPAC name of N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine (CID 82710921) is N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine?
The canonical SMILES for N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine is COCCONC1CSCCC1(C)C.
What is the InChIKey of N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine?
The InChIKey is AWZUHOWBQSIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2)4-7-14-8-9(10)11-13-6-5-12-3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine?
N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine is sourced from PubChem (CID 82710921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).