5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole

C14H19NOS — CID 115074629

IUPAC5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCC1CCCSC1)CCN2
InChIInChI=1S/C14H19NOS/c1-2-11(10-17-7-1)9-16-13-3-4-14-12(8-13)5-6-15-14/h3-4,8,11,15H,1-2,5-7,9-10H2
InChIKeyGBPSZDRKTPDHCB-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.18
Rot. Bonds3

About 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole

5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole (PubChem CID 115074629) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
PubChem CID115074629
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCC1CCCSC1)CCN2
InChIInChI=1S/C14H19NOS/c1-2-11(10-17-7-1)9-16-13-3-4-14-12(8-13)5-6-15-14/h3-4,8,11,15H,1-2,5-7,9-10H2
InChIKeyGBPSZDRKTPDHCB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 115075504
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
5-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074586
4-(thian-3-ylmethoxy)-1H-pyrazole
CID 117233466
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292

Frequently Asked Questions

What is the IUPAC name of 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole (CID 115074629) is 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole is c1cc2c(cc1OCC1CCCSC1)CCN2.
What is the InChIKey of 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole?
The InChIKey is GBPSZDRKTPDHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-11(10-17-7-1)9-16-13-3-4-14-12(8-13)5-6-15-14/h3-4,8,11,15H,1-2,5-7,9-10H2.
What are the key properties of 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole?
5-(thian-3-ylmethoxy)-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 5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).