3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide

C14H17NO2S — CID 70758833

IUPAC3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C14H17NO2S/c16-18(17)8-6-12(10-18)2-1-11-3-4-14-13(9-11)5-7-15-14/h3-5,7,9,12,15H,1-2,6,8,10H2
InChIKeyGOIJTOPKKVYAMF-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.54
Rot. Bonds3

About 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide

3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide (PubChem CID 70758833) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide
PubChem CID70758833
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C14H17NO2S/c16-18(17)8-6-12(10-18)2-1-11-3-4-14-13(9-11)5-7-15-14/h3-5,7,9,12,15H,1-2,6,8,10H2
InChIKeyGOIJTOPKKVYAMF-UHFFFAOYSA-N
XLogP2.54
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-6-ylmethyl)thiane 1,1-dioxide
CID 70767077
3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide
CID 70781094
N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 126772219
1-[3-[2-(1,1-dioxothiolan-3-yl)ethyl]phenyl]propan-1-one
CID 70710991
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013321
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
CID 174880167
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
CID 102911276

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide (CID 70758833) is 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide is O=S1(=O)CCC(CCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide?
The InChIKey is GOIJTOPKKVYAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-18(17)8-6-12(10-18)2-1-11-3-4-14-13(9-11)5-7-15-14/h3-5,7,9,12,15H,1-2,6,8,10H2.
What are the key properties of 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide?
3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide has a molecular weight of 263.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 70758833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).