[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine

C13H27N3S — CID 81467595

IUPAC[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1CN(C2(CN)CC(C)N(C)C2)CC(C)S1
InChIInChI=1S/C13H27N3S/c1-10-5-13(8-14,9-15(10)4)16-6-11(2)17-12(3)7-16/h10-12H,5-9,14H2,1-4H3
InChIKeyRYNYVFYAJYRCTK-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.23
Rot. Bonds2

About [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine

[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 81467595) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID81467595
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1CN(C2(CN)CC(C)N(C)C2)CC(C)S1
InChIInChI=1S/C13H27N3S/c1-10-5-13(8-14,9-15(10)4)16-6-11(2)17-12(3)7-16/h10-12H,5-9,14H2,1-4H3
InChIKeyRYNYVFYAJYRCTK-UHFFFAOYSA-N
XLogP1.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine (CID 81467595) is [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine is CC1CN(C2(CN)CC(C)N(C)C2)CC(C)S1.
What is the InChIKey of [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is RYNYVFYAJYRCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-10-5-13(8-14,9-15(10)4)16-6-11(2)17-12(3)7-16/h10-12H,5-9,14H2,1-4H3.
What are the key properties of [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 257.45 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81467595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).