3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine

C9H20N2OS — CID 61427635

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine
SMILESCOCCN(C)C1(CN)CCSC1
InChIInChI=1S/C9H20N2OS/c1-11(4-5-12-2)9(7-10)3-6-13-8-9/h3-8,10H2,1-2H3
InChIKeyWAAAFRDQIFJSAJ-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.40
Rot. Bonds5

About 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine

3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine (PubChem CID 61427635) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine
PubChem CID61427635
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine
SMILESCOCCN(C)C1(CN)CCSC1
InChIInChI=1S/C9H20N2OS/c1-11(4-5-12-2)9(7-10)3-6-13-8-9/h3-8,10H2,1-2H3
InChIKeyWAAAFRDQIFJSAJ-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine (CID 61427635) is 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine is COCCN(C)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine?
The InChIKey is WAAAFRDQIFJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-11(4-5-12-2)9(7-10)3-6-13-8-9/h3-8,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine?
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine has a molecular weight of 204.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine is sourced from PubChem (CID 61427635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).