N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine

C18H26N2O2S — CID 58567980

IUPACN,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine
SMILESCN(C)CCC1=CCc2ccc(CS(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C18H26N2O2S/c1-19(2)12-9-17-8-7-16-6-5-15(13-18(16)17)14-23(21,22)20-10-3-4-11-20/h5-6,8,13H,3-4,7,9-12,14H2,1-2H3
InChIKeyDYWBZVMANNAALH-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.50
Rot. Bonds6

About N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine

N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine (PubChem CID 58567980) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine
PubChem CID58567980
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine
SMILESCN(C)CCC1=CCc2ccc(CS(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C18H26N2O2S/c1-19(2)12-9-17-8-7-16-6-5-15(13-18(16)17)14-23(21,22)20-10-3-4-11-20/h5-6,8,13H,3-4,7,9-12,14H2,1-2H3
InChIKeyDYWBZVMANNAALH-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine (CID 58567980) is N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine is CN(C)CCC1=CCc2ccc(CS(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine?
The InChIKey is DYWBZVMANNAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-19(2)12-9-17-8-7-16-6-5-15(13-18(16)17)14-23(21,22)20-10-3-4-11-20/h5-6,8,13H,3-4,7,9-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine?
N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine has a molecular weight of 334.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(pyrrolidin-1-ylsulfonylmethyl)-3H-inden-1-yl]ethanamine is sourced from PubChem (CID 58567980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).