3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine

C13H26N2OS — CID 55004745

IUPAC3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCSC1
InChIInChI=1S/C13H26N2OS/c1-11(12-3-4-12)15(6-7-16-2)13(9-14)5-8-17-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyHTKSQGNROOFCQX-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.57
Rot. Bonds7

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

3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine (PubChem CID 55004745) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine
PubChem CID55004745
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCSC1
InChIInChI=1S/C13H26N2OS/c1-11(12-3-4-12)15(6-7-16-2)13(9-14)5-8-17-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyHTKSQGNROOFCQX-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine (CID 55004745) is 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine is COCCN(C(C)C1CC1)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine?
The InChIKey is HTKSQGNROOFCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-11(12-3-4-12)15(6-7-16-2)13(9-14)5-8-17-10-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine?
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine has a molecular weight of 258.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiolan-3-amine is sourced from PubChem (CID 55004745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).