3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine

C12H26N2O2S — CID 55004774

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine
SMILESCOCCN(C(C)COC)C1(CN)CCSC1
InChIInChI=1S/C12H26N2O2S/c1-11(8-16-3)14(5-6-15-2)12(9-13)4-7-17-10-12/h11H,4-10,13H2,1-3H3
InChIKeyZECSTEICBWUBRH-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.80
Rot. Bonds8

About 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine

3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine (PubChem CID 55004774) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine
PubChem CID55004774
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine
SMILESCOCCN(C(C)COC)C1(CN)CCSC1
InChIInChI=1S/C12H26N2O2S/c1-11(8-16-3)14(5-6-15-2)12(9-13)4-7-17-10-12/h11H,4-10,13H2,1-3H3
InChIKeyZECSTEICBWUBRH-UHFFFAOYSA-N
XLogP0.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine (CID 55004774) is 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine is COCCN(C(C)COC)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine?
The InChIKey is ZECSTEICBWUBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(8-16-3)14(5-6-15-2)12(9-13)4-7-17-10-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine?
3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine has a molecular weight of 262.42 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine is sourced from PubChem (CID 55004774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).