4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine

C15H22N2S — CID 113278018

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(Cc2cccc3c2NCC3)CC(C)S1
InChIInChI=1S/C15H22N2S/c1-11-8-17(9-12(2)18-11)10-14-5-3-4-13-6-7-16-15(13)14/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeyODHOVPJNKAUOOL-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.98
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine

4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine (PubChem CID 113278018) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
PubChem CID113278018
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(Cc2cccc3c2NCC3)CC(C)S1
InChIInChI=1S/C15H22N2S/c1-11-8-17(9-12(2)18-11)10-14-5-3-4-13-6-7-16-15(13)14/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeyODHOVPJNKAUOOL-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2,6-trimethylmorpholine
CID 114327180
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113278021
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 114327278
4-(2,3-dihydro-1H-indol-7-ylmethyl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 120857918

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine (CID 113278018) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine is CC1CN(Cc2cccc3c2NCC3)CC(C)S1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine?
The InChIKey is ODHOVPJNKAUOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-11-8-17(9-12(2)18-11)10-14-5-3-4-13-6-7-16-15(13)14/h3-5,11-12,16H,6-10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine has a molecular weight of 262.42 g/mol, XLogP of 2.98, 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-7-ylmethyl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 113278018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).