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

C18H28N4O2S — CID 10021702

IUPAC2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCCN1CCN(CCc2ccc3[nH]cc(CCN(C)C)c3c2)S1(=O)=O
InChIInChI=1S/C18H28N4O2S/c1-4-21-11-12-22(25(21,23)24)10-7-15-5-6-18-17(13-15)16(14-19-18)8-9-20(2)3/h5-6,13-14,19H,4,7-12H2,1-3H3
InChIKeyMWQAQKCJKACPMW-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.70
Rot. Bonds7

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

2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 10021702) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID10021702
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCCN1CCN(CCc2ccc3[nH]cc(CCN(C)C)c3c2)S1(=O)=O
InChIInChI=1S/C18H28N4O2S/c1-4-21-11-12-22(25(21,23)24)10-7-15-5-6-18-17(13-15)16(14-19-18)8-9-20(2)3/h5-6,13-14,19H,4,7-12H2,1-3H3
InChIKeyMWQAQKCJKACPMW-UHFFFAOYSA-N
XLogP1.70
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine (CID 10021702) is 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine is CCN1CCN(CCc2ccc3[nH]cc(CCN(C)C)c3c2)S1(=O)=O.
What is the InChIKey of 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is MWQAQKCJKACPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-4-21-11-12-22(25(21,23)24)10-7-15-5-6-18-17(13-15)16(14-19-18)8-9-20(2)3/h5-6,13-14,19H,4,7-12H2,1-3H3.
What are the key properties of 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 364.52 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10021702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).