2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine

C21H26N4O2S — CID 10340828

IUPAC2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc12
InChIInChI=1S/C21H26N4O2S/c1-23(2)11-10-18-15-22-21-9-8-19(14-20(18)21)25-13-12-24(28(25,26)27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3
InChIKeyNFLDDZPDKNUJJZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.84
Rot. Bonds6

About 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine

2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 10340828) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID10340828
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc12
InChIInChI=1S/C21H26N4O2S/c1-23(2)11-10-18-15-22-21-9-8-19(14-20(18)21)25-13-12-24(28(25,26)27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3
InChIKeyNFLDDZPDKNUJJZ-UHFFFAOYSA-N
XLogP2.84
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine (CID 10340828) is 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc12.
What is the InChIKey of 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is NFLDDZPDKNUJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-23(2)11-10-18-15-22-21-9-8-19(14-20(18)21)25-13-12-24(28(25,26)27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3.
What are the key properties of 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 398.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10340828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).