3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole

C16H22N2OS — CID 176862227

IUPAC3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole
SMILESCO[C@@H]1CCN(CCc2c[nH]c3ccc(SC)cc23)C1
InChIInChI=1S/C16H22N2OS/c1-19-13-6-8-18(11-13)7-5-12-10-17-16-4-3-14(20-2)9-15(12)16/h3-4,9-10,13,17H,5-8,11H2,1-2H3/t13-/m1/s1
InChIKeyNJUUGUFUVXKSBE-CYBMUJFWSA-N
MW290.43 g/mol
LogP3.15
Rot. Bonds5

About 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole

3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole (PubChem CID 176862227) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole
PubChem CID176862227
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole
SMILESCO[C@@H]1CCN(CCc2c[nH]c3ccc(SC)cc23)C1
InChIInChI=1S/C16H22N2OS/c1-19-13-6-8-18(11-13)7-5-12-10-17-16-4-3-14(20-2)9-15(12)16/h3-4,9-10,13,17H,5-8,11H2,1-2H3/t13-/m1/s1
InChIKeyNJUUGUFUVXKSBE-CYBMUJFWSA-N
XLogP3.15
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
CID 170040522
ethane;3-ethyl-5-methylsulfanyl-1H-indole
CID 142069450
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
methyl N-[4-[[3-[2-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]ethyl]-1H-indol-5-yl]oxy]butyl]carbamate
CID 176862287
3-[[(2R)-1-but-2-ynylpyrrolidin-2-yl]methyl]-5-methylsulfanyl-1H-indole
CID 176854869
N-[4-[[3-[2-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]ethyl]-1H-indol-5-yl]oxy]butyl]acetamide
CID 176862240
3,3,3-trifluoro-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 172624961
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591
3-[2-[4-(difluoromethoxymethyl)azepan-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862217
(3R)-N-benzyl-N-methyl-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 10621020
2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine
CID 172624964
12-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 177208130

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole?
The IUPAC name of 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole (CID 176862227) is 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole.
What is the SMILES notation for 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole?
The canonical SMILES for 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole is CO[C@@H]1CCN(CCc2c[nH]c3ccc(SC)cc23)C1.
What is the InChIKey of 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole?
The InChIKey is NJUUGUFUVXKSBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-19-13-6-8-18(11-13)7-5-12-10-17-16-4-3-14(20-2)9-15(12)16/h3-4,9-10,13,17H,5-8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole?
3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole has a molecular weight of 290.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole is sourced from PubChem (CID 176862227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).