3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine

C10H22N2OS — CID 61448042

IUPAC3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine
SMILESCCN(CCOC)C1(CN)CCSC1
InChIInChI=1S/C10H22N2OS/c1-3-12(5-6-13-2)10(8-11)4-7-14-9-10/h3-9,11H2,1-2H3
InChIKeyWAEHCYJYPDAQGT-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.79
Rot. Bonds6

About 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine

3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine (PubChem CID 61448042) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine
PubChem CID61448042
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine
SMILESCCN(CCOC)C1(CN)CCSC1
InChIInChI=1S/C10H22N2OS/c1-3-12(5-6-13-2)10(8-11)4-7-14-9-10/h3-9,11H2,1-2H3
InChIKeyWAEHCYJYPDAQGT-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine (CID 61448042) is 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine is CCN(CCOC)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine?
The InChIKey is WAEHCYJYPDAQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-3-12(5-6-13-2)10(8-11)4-7-14-9-10/h3-9,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine?
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine has a molecular weight of 218.37 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine is sourced from PubChem (CID 61448042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).