5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine

C15H30N2S — CID 79855724

IUPAC5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN2CC(C)SC(C)C2)CCC1(C)C
InChIInChI=1S/C15H30N2S/c1-11-8-17(9-12(2)18-11)10-13-6-7-15(3,4)14(13)16-5/h11-14,16H,6-10H2,1-5H3
InChIKeyIQXIQYPMGZEQJL-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.84
Rot. Bonds3

About 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine

5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79855724) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79855724
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN2CC(C)SC(C)C2)CCC1(C)C
InChIInChI=1S/C15H30N2S/c1-11-8-17(9-12(2)18-11)10-13-6-7-15(3,4)14(13)16-5/h11-14,16H,6-10H2,1-5H3
InChIKeyIQXIQYPMGZEQJL-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine (CID 79855724) is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine is CNC1C(CN2CC(C)SC(C)C2)CCC1(C)C.
What is the InChIKey of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is IQXIQYPMGZEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-11-8-17(9-12(2)18-11)10-13-6-7-15(3,4)14(13)16-5/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 270.49 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79855724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).