(1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate

C22H33N3O5S — CID 166467646

IUPAC(1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
SMILESCN(C)CCc1cn(S(=O)(=O)OCC(C)(C)C(=O)OC2CCN(C)C2)c2ccccc12
InChIInChI=1S/C22H33N3O5S/c1-22(2,21(26)30-18-11-13-24(5)15-18)16-29-31(27,28)25-14-17(10-12-23(3)4)19-8-6-7-9-20(19)25/h6-9,14,18H,10-13,15-16H2,1-5H3
InChIKeyWKTXRFUJUYCBDU-UHFFFAOYSA-N
MW451.59 g/mol
LogP2.13
Rot. Bonds9

About (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate

(1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate (PubChem CID 166467646) has the molecular formula C22H33N3O5S and a molecular weight of 451.59 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
PubChem CID166467646
Molecular FormulaC22H33N3O5S
Molecular Weight451.59 g/mol
Exact Mass451.21
IUPAC Name(1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
SMILESCN(C)CCc1cn(S(=O)(=O)OCC(C)(C)C(=O)OC2CCN(C)C2)c2ccccc12
InChIInChI=1S/C22H33N3O5S/c1-22(2,21(26)30-18-11-13-24(5)15-18)16-29-31(27,28)25-14-17(10-12-23(3)4)19-8-6-7-9-20(19)25/h6-9,14,18H,10-13,15-16H2,1-5H3
InChIKeyWKTXRFUJUYCBDU-UHFFFAOYSA-N
XLogP2.13
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxolan-3-yl 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
CID 166467561
piperidin-4-yl 3-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
CID 168931068
oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
CID 167306966
2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
CID 166467149
4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline
CID 23757270
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467441
2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine
CID 166467723
(1-methylazetidin-3-yl)methyl 3-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]sulfanyloxy-2,2-dimethylpropanoate
CID 168931075
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467776
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate (CID 166467646) is (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate is CN(C)CCc1cn(S(=O)(=O)OCC(C)(C)C(=O)OC2CCN(C)C2)c2ccccc12.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
The InChIKey is WKTXRFUJUYCBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5S/c1-22(2,21(26)30-18-11-13-24(5)15-18)16-29-31(27,28)25-14-17(10-12-23(3)4)19-8-6-7-9-20(19)25/h6-9,14,18H,10-13,15-16H2,1-5H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
(1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate has a molecular weight of 451.59 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 3-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonyloxy-2,2-dimethylpropanoate is sourced from PubChem (CID 166467646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).