7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole

C14H19NOS — CID 115074875

IUPAC7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole
SMILESCC1(Oc2cccc3c2NCC3)CCSCC1
InChIInChI=1S/C14H19NOS/c1-14(6-9-17-10-7-14)16-12-4-2-3-11-5-8-15-13(11)12/h2-4,15H,5-10H2,1H3
InChIKeyQFJFISHSZRASHY-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.32
Rot. Bonds2

About 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole

7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole (PubChem CID 115074875) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole
PubChem CID115074875
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole
SMILESCC1(Oc2cccc3c2NCC3)CCSCC1
InChIInChI=1S/C14H19NOS/c1-14(6-9-17-10-7-14)16-12-4-2-3-11-5-8-15-13(11)12/h2-4,15H,5-10H2,1H3
InChIKeyQFJFISHSZRASHY-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
CID 115074930
8-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075665
8-(1,3-dimethylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075729
7-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074940
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075588
7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074861
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288
7-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074892
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
3-(2,3-dihydro-1H-indol-7-yloxymethyl)-3-methylthiane 1,1-dioxide
CID 115074990

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole?
The IUPAC name of 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole (CID 115074875) is 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole is CC1(Oc2cccc3c2NCC3)CCSCC1.
What is the InChIKey of 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole?
The InChIKey is QFJFISHSZRASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(6-9-17-10-7-14)16-12-4-2-3-11-5-8-15-13(11)12/h2-4,15H,5-10H2,1H3.
What are the key properties of 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole?
7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole has a molecular weight of 249.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).