4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine

C15H22N2S — CID 80567467

IUPAC4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(CC2Cc3ccccc3N2)CC(C)S1
InChIInChI=1S/C15H22N2S/c1-11-8-17(9-12(2)18-11)10-14-7-13-5-3-4-6-15(13)16-14/h3-6,11-12,14,16H,7-10H2,1-2H3
InChIKeyMIHZLCXFIKBZSG-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.85
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine

4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine (PubChem CID 80567467) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine
PubChem CID80567467
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(CC2Cc3ccccc3N2)CC(C)S1
InChIInChI=1S/C15H22N2S/c1-11-8-17(9-12(2)18-11)10-14-7-13-5-3-4-6-15(13)16-14/h3-6,11-12,14,16H,7-10H2,1-2H3
InChIKeyMIHZLCXFIKBZSG-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine (CID 80567467) is 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine is CC1CN(CC2Cc3ccccc3N2)CC(C)S1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine?
The InChIKey is MIHZLCXFIKBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-11-8-17(9-12(2)18-11)10-14-7-13-5-3-4-6-15(13)16-14/h3-6,11-12,14,16H,7-10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine?
4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine has a molecular weight of 262.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 80567467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).