5-(thietan-3-yloxy)-2,3-dihydro-1H-indole

C11H13NOS — CID 115074586

IUPAC5-(thietan-3-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OC1CSC1)CCN2
InChIInChI=1S/C11H13NOS/c1-2-11-8(3-4-12-11)5-9(1)13-10-6-14-7-10/h1-2,5,10,12H,3-4,6-7H2
InChIKeyFUFVZNBYMOFCTA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.15
Rot. Bonds2

About 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole

5-(thietan-3-yloxy)-2,3-dihydro-1H-indole (PubChem CID 115074586) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(thietan-3-yloxy)-2,3-dihydro-1H-indole
PubChem CID115074586
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name5-(thietan-3-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OC1CSC1)CCN2
InChIInChI=1S/C11H13NOS/c1-2-11-8(3-4-12-11)5-9(1)13-10-6-14-7-10/h1-2,5,10,12H,3-4,6-7H2
InChIKeyFUFVZNBYMOFCTA-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.15
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

6-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074762
5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole
CID 66926636
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
CID 84683949
5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
CID 114522456
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole
CID 90054251
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
O-(2,3-dihydro-1H-indol-5-yl) benzenecarbothioate
CID 59131718
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494

Frequently Asked Questions

What is the IUPAC name of 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole (CID 115074586) is 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole is c1cc2c(cc1OC1CSC1)CCN2.
What is the InChIKey of 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
The InChIKey is FUFVZNBYMOFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-11-8(3-4-12-11)5-9(1)13-10-6-14-7-10/h1-2,5,10,12H,3-4,6-7H2.
What are the key properties of 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
5-(thietan-3-yloxy)-2,3-dihydro-1H-indole has a molecular weight of 207.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thietan-3-yloxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).