5-propoxy-1-(thiophen-2-ylmethyl)indole

C16H17NOS — CID 116625667

IUPAC5-propoxy-1-(thiophen-2-ylmethyl)indole
SMILESCCCOc1ccc2c(ccn2Cc2cccs2)c1
InChIInChI=1S/C16H17NOS/c1-2-9-18-14-5-6-16-13(11-14)7-8-17(16)12-15-4-3-10-19-15/h3-8,10-11H,2,9,12H2,1H3
InChIKeyNGSMHIINKYCUOX-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.54
Rot. Bonds5

About 5-propoxy-1-(thiophen-2-ylmethyl)indole

5-propoxy-1-(thiophen-2-ylmethyl)indole (PubChem CID 116625667) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-propoxy-1-(thiophen-2-ylmethyl)indole.

Molecular Properties

Compound Name5-propoxy-1-(thiophen-2-ylmethyl)indole
PubChem CID116625667
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name5-propoxy-1-(thiophen-2-ylmethyl)indole
SMILESCCCOc1ccc2c(ccn2Cc2cccs2)c1
InChIInChI=1S/C16H17NOS/c1-2-9-18-14-5-6-16-13(11-14)7-8-17(16)12-15-4-3-10-19-15/h3-8,10-11H,2,9,12H2,1H3
InChIKeyNGSMHIINKYCUOX-UHFFFAOYSA-N
XLogP4.54
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116625614
1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
CID 116625540
1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
CID 102879254
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole
CID 116624048

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-1-(thiophen-2-ylmethyl)indole?
The IUPAC name of 5-propoxy-1-(thiophen-2-ylmethyl)indole (CID 116625667) is 5-propoxy-1-(thiophen-2-ylmethyl)indole.
What is the SMILES notation for 5-propoxy-1-(thiophen-2-ylmethyl)indole?
The canonical SMILES for 5-propoxy-1-(thiophen-2-ylmethyl)indole is CCCOc1ccc2c(ccn2Cc2cccs2)c1.
What is the InChIKey of 5-propoxy-1-(thiophen-2-ylmethyl)indole?
The InChIKey is NGSMHIINKYCUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-9-18-14-5-6-16-13(11-14)7-8-17(16)12-15-4-3-10-19-15/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 5-propoxy-1-(thiophen-2-ylmethyl)indole?
5-propoxy-1-(thiophen-2-ylmethyl)indole has a molecular weight of 271.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-1-(thiophen-2-ylmethyl)indole is sourced from PubChem (CID 116625667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).