1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol

C20H30N2O3S — CID 67716618

IUPAC1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCCS(=O)(=O)CCc1ccc2[nH]cc(C[C@H]3CCCN3CC(C)O)c2c1
InChIInChI=1S/C20H30N2O3S/c1-3-26(24,25)10-8-16-6-7-20-19(11-16)17(13-21-20)12-18-5-4-9-22(18)14-15(2)23/h6-7,11,13,15,18,21,23H,3-5,8-10,12,14H2,1-2H3/t15?,18-/m1/s1
InChIKeyUTTCRKBLRZASMH-KPMSDPLLSA-N
MW378.54 g/mol
LogP2.53
Rot. Bonds8

About 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol

1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 67716618) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol
PubChem CID67716618
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCCS(=O)(=O)CCc1ccc2[nH]cc(C[C@H]3CCCN3CC(C)O)c2c1
InChIInChI=1S/C20H30N2O3S/c1-3-26(24,25)10-8-16-6-7-20-19(11-16)17(13-21-20)12-18-5-4-9-22(18)14-15(2)23/h6-7,11,13,15,18,21,23H,3-5,8-10,12,14H2,1-2H3/t15?,18-/m1/s1
InChIKeyUTTCRKBLRZASMH-KPMSDPLLSA-N
XLogP2.53
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
3-[[(2R)-1-[2-(benzenesulfinyl)ethyl]pyrrolidin-2-yl]methyl]-5-(2-ethylsulfonylethyl)-1H-indole
CID 22873797
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
2-methyl-4-[3-[[1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]butan-2-ol
CID 19077568
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-propylpentanoic acid;hydrobromide
CID 67170911
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;ethene
CID 143897190
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(Z)-but-2-enedioic acid
CID 46195791
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol
CID 19077573

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol (CID 67716618) is 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol is CCS(=O)(=O)CCc1ccc2[nH]cc(C[C@H]3CCCN3CC(C)O)c2c1.
What is the InChIKey of 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is UTTCRKBLRZASMH-KPMSDPLLSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-3-26(24,25)10-8-16-6-7-20-19(11-16)17(13-21-20)12-18-5-4-9-22(18)14-15(2)23/h6-7,11,13,15,18,21,23H,3-5,8-10,12,14H2,1-2H3/t15?,18-/m1/s1.
What are the key properties of 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol?
1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 378.54 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 67716618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).