1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol

C17H25N3O3S — CID 58600323

IUPAC1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol
SMILESCN(C)CCc1c[nH]c2cc(CS(=O)(=O)N3CCCC3O)ccc12
InChIInChI=1S/C17H25N3O3S/c1-19(2)9-7-14-11-18-16-10-13(5-6-15(14)16)12-24(22,23)20-8-3-4-17(20)21/h5-6,10-11,17-18,21H,3-4,7-9,12H2,1-2H3
InChIKeyPSYHQZNIKYMMKU-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.52
Rot. Bonds6

About 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol

1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol (PubChem CID 58600323) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol
PubChem CID58600323
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol
SMILESCN(C)CCc1c[nH]c2cc(CS(=O)(=O)N3CCCC3O)ccc12
InChIInChI=1S/C17H25N3O3S/c1-19(2)9-7-14-11-18-16-10-13(5-6-15(14)16)12-24(22,23)20-8-3-4-17(20)21/h5-6,10-11,17-18,21H,3-4,7-9,12H2,1-2H3
InChIKeyPSYHQZNIKYMMKU-UHFFFAOYSA-N
XLogP1.52
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;bis(2-hydroxybenzoic acid)
CID 67157590
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methyl]-1,3-oxazolidin-2-one
CID 169444200
2-[5-[[3-[2-(dimethylamino)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)indol-1-yl]methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 162623876
4-[4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylsulfonyl-methylamino]oxy-4-oxobutanoyl]oxy-4-oxobutanoic acid
CID 87259431
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
6-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 75084907
2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
CID 175320113
2-[1-tert-butyl-5-(pyrrolidin-1-ylsulfonylmethyl)indol-3-yl]-N,N-dimethylethanamine
CID 59825321
2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 160688645
3-[2-(dimethylamino)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole-2-carboxylic acid
CID 19417475
[3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-6-yl]methanesulfinic acid
CID 174633435

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol?
The IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol (CID 58600323) is 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol?
The canonical SMILES for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol is CN(C)CCc1c[nH]c2cc(CS(=O)(=O)N3CCCC3O)ccc12.
What is the InChIKey of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol?
The InChIKey is PSYHQZNIKYMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-19(2)9-7-14-11-18-16-10-13(5-6-15(14)16)12-24(22,23)20-8-3-4-17(20)21/h5-6,10-11,17-18,21H,3-4,7-9,12H2,1-2H3.
What are the key properties of 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol?
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol has a molecular weight of 351.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methylsulfonyl]pyrrolidin-2-ol is sourced from PubChem (CID 58600323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).