2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

C18H27N3O3S — CID 97400069

IUPAC2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)CN(C)C)CC2)c2ccccc21
InChIInChI=1S/C18H27N3O3S/c1-4-25(23,24)21-14-18(15-7-5-6-8-16(15)21)9-11-20(12-10-18)17(22)13-19(2)3/h5-8H,4,9-14H2,1-3H3
InChIKeyGIUBYYZTYYKHIC-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.28
Rot. Bonds4

About 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (PubChem CID 97400069) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
PubChem CID97400069
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)CN(C)C)CC2)c2ccccc21
InChIInChI=1S/C18H27N3O3S/c1-4-25(23,24)21-14-18(15-7-5-6-8-16(15)21)9-11-20(12-10-18)17(22)13-19(2)3/h5-8H,4,9-14H2,1-3H3
InChIKeyGIUBYYZTYYKHIC-UHFFFAOYSA-N
XLogP1.28
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (CID 97400069) is 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is CCS(=O)(=O)N1CC2(CCN(C(=O)CN(C)C)CC2)c2ccccc21.
What is the InChIKey of 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The InChIKey is GIUBYYZTYYKHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-4-25(23,24)21-14-18(15-7-5-6-8-16(15)21)9-11-20(12-10-18)17(22)13-19(2)3/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone has a molecular weight of 365.50 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 97400069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).