2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole

C16H22N2OS — CID 178091667

IUPAC2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole
SMILESCc1[nH]c2cccc(S(C)=O)c2c1C[C@H]1CCCN1C
InChIInChI=1S/C16H22N2OS/c1-11-13(10-12-6-5-9-18(12)2)16-14(17-11)7-4-8-15(16)20(3)19/h4,7-8,12,17H,5-6,9-10H2,1-3H3/t12-,20?/m1/s1
InChIKeySVNMXDAOVJLFBA-ZRIYNBNISA-N
MW290.43 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole

2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole (PubChem CID 178091667) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole
PubChem CID178091667
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole
SMILESCc1[nH]c2cccc(S(C)=O)c2c1C[C@H]1CCCN1C
InChIInChI=1S/C16H22N2OS/c1-11-13(10-12-6-5-9-18(12)2)16-14(17-11)7-4-8-15(16)20(3)19/h4,7-8,12,17H,5-6,9-10H2,1-3H3/t12-,20?/m1/s1
InChIKeySVNMXDAOVJLFBA-ZRIYNBNISA-N
XLogP2.85
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 178091747
4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091616
2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)-1H-indole
CID 178091548
4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole
CID 178091725
2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 178091577
2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091734
[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171079902
4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole
CID 178091685
5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091795
4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 170305481
[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] N-[2-[[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-4-yl]oxycarbonylamino]ethyl]carbamate
CID 170760007
1-O-(3-methyl-1H-indol-4-yl) 4-O-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] butanedioate
CID 170760018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole?
The IUPAC name of 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole (CID 178091667) is 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole.
What is the SMILES notation for 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole?
The canonical SMILES for 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole is Cc1[nH]c2cccc(S(C)=O)c2c1C[C@H]1CCCN1C.
What is the InChIKey of 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole?
The InChIKey is SVNMXDAOVJLFBA-ZRIYNBNISA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-13(10-12-6-5-9-18(12)2)16-14(17-11)7-4-8-15(16)20(3)19/h4,7-8,12,17H,5-6,9-10H2,1-3H3/t12-,20?/m1/s1.
What are the key properties of 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole?
2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole has a molecular weight of 290.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole is sourced from PubChem (CID 178091667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).