3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine

C11H24N2O2S — CID 60894219

IUPAC3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine
SMILESCOCCN(CCOC)C1(CN)CCSC1
InChIInChI=1S/C11H24N2O2S/c1-14-6-4-13(5-7-15-2)11(9-12)3-8-16-10-11/h3-10,12H2,1-2H3
InChIKeyHSYOAHPNGWNNSR-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.42
Rot. Bonds8

About 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine

3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine (PubChem CID 60894219) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine
PubChem CID60894219
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine
SMILESCOCCN(CCOC)C1(CN)CCSC1
InChIInChI=1S/C11H24N2O2S/c1-14-6-4-13(5-7-15-2)11(9-12)3-8-16-10-11/h3-10,12H2,1-2H3
InChIKeyHSYOAHPNGWNNSR-UHFFFAOYSA-N
XLogP0.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine (CID 60894219) is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine is COCCN(CCOC)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine?
The InChIKey is HSYOAHPNGWNNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-14-6-4-13(5-7-15-2)11(9-12)3-8-16-10-11/h3-10,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine?
3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine has a molecular weight of 248.39 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine is sourced from PubChem (CID 60894219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).