6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole

C14H19NOS — CID 115074777

IUPAC6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(COc2ccc3c(c2)NCC3)CCSC1
InChIInChI=1S/C14H19NOS/c1-14(5-7-17-10-14)9-16-12-3-2-11-4-6-15-13(11)8-12/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeyLFPDDOYFICEKKW-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.18
Rot. Bonds3

About 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole

6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074777) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074777
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(COc2ccc3c(c2)NCC3)CCSC1
InChIInChI=1S/C14H19NOS/c1-14(5-7-17-10-14)9-16-12-3-2-11-4-6-15-13(11)8-12/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeyLFPDDOYFICEKKW-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074794
6-[(1-ethyl-3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074784
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075542
8-[(3-methylthiolan-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076784
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
6-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074762
5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074531
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole (CID 115074777) is 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole is CC1(COc2ccc3c(c2)NCC3)CCSC1.
What is the InChIKey of 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is LFPDDOYFICEKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(5-7-17-10-14)9-16-12-3-2-11-4-6-15-13(11)8-12/h2-3,8,15H,4-7,9-10H2,1H3.
What are the key properties of 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole?
6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 249.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).