2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole

C15H20N2S — CID 901181

IUPAC2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESCSc1[nH]c2ccccc2c1CCN1CCCC1
InChIInChI=1S/C15H20N2S/c1-18-15-13(8-11-17-9-4-5-10-17)12-6-2-3-7-14(12)16-15/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyGMFHKFFGIXYKOL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.53
Rot. Bonds4

About 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole

2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole (PubChem CID 901181) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
PubChem CID901181
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESCSc1[nH]c2ccccc2c1CCN1CCCC1
InChIInChI=1S/C15H20N2S/c1-18-15-13(8-11-17-9-4-5-10-17)12-6-2-3-7-14(12)16-15/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyGMFHKFFGIXYKOL-UHFFFAOYSA-N
XLogP3.53
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-3-[4-(3-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70046523
2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 59920997
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
2-[4-(1H-indol-2-yl)butyl]-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 67798369
2-[4-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 59920987
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 15071480
1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone
CID 71319091
N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide
CID 901182
1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole
CID 86173275
(2S)-2-amino-3-(2-methylsulfanyl-1H-indol-3-yl)propanal
CID 155923710
2-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
CID 59921038

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The IUPAC name of 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole (CID 901181) is 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The canonical SMILES for 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole is CSc1[nH]c2ccccc2c1CCN1CCCC1.
What is the InChIKey of 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The InChIKey is GMFHKFFGIXYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-18-15-13(8-11-17-9-4-5-10-17)12-6-2-3-7-14(12)16-15/h2-3,6-7,16H,4-5,8-11H2,1H3.
What are the key properties of 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole has a molecular weight of 260.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 901181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).