4-(thian-4-yloxy)-2,3-dihydro-1H-indole

C13H17NOS — CID 115074331

IUPAC4-(thian-4-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OC3CCSCC3)c1)CCN2
InChIInChI=1S/C13H17NOS/c1-2-12-11(4-7-14-12)13(3-1)15-10-5-8-16-9-6-10/h1-3,10,14H,4-9H2
InChIKeyHWDQWTAXOBQYEW-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.93
Rot. Bonds2

About 4-(thian-4-yloxy)-2,3-dihydro-1H-indole

4-(thian-4-yloxy)-2,3-dihydro-1H-indole (PubChem CID 115074331) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-(thian-4-yloxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(thian-4-yloxy)-2,3-dihydro-1H-indole
PubChem CID115074331
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name4-(thian-4-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OC3CCSCC3)c1)CCN2
InChIInChI=1S/C13H17NOS/c1-2-12-11(4-7-14-12)13(3-1)15-10-5-8-16-9-6-10/h1-3,10,14H,4-9H2
InChIKeyHWDQWTAXOBQYEW-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074410
7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074861
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368
2-(thian-4-yloxy)aniline
CID 14819600
4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074354
2-[2-(thian-4-yloxy)phenyl]morpholine
CID 117448476
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074397
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine
CID 84699011
N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
CID 115005293
2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide
CID 115074356

Frequently Asked Questions

What is the IUPAC name of 4-(thian-4-yloxy)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(thian-4-yloxy)-2,3-dihydro-1H-indole (CID 115074331) is 4-(thian-4-yloxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(thian-4-yloxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(thian-4-yloxy)-2,3-dihydro-1H-indole is c1cc2c(c(OC3CCSCC3)c1)CCN2.
What is the InChIKey of 4-(thian-4-yloxy)-2,3-dihydro-1H-indole?
The InChIKey is HWDQWTAXOBQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-2-12-11(4-7-14-12)13(3-1)15-10-5-8-16-9-6-10/h1-3,10,14H,4-9H2.
What are the key properties of 4-(thian-4-yloxy)-2,3-dihydro-1H-indole?
4-(thian-4-yloxy)-2,3-dihydro-1H-indole has a molecular weight of 235.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-4-yloxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).