2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine

C7H17N3O2S — CID 84779850

IUPAC2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine
SMILESCCN1CCN(CCNC)S1(=O)=O
InChIInChI=1S/C7H17N3O2S/c1-3-9-6-7-10(5-4-8-2)13(9,11)12/h8H,3-7H2,1-2H3
InChIKeyFBUWIBPDHCNXOJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP-0.91
Rot. Bonds4

About 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine

2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine (PubChem CID 84779850) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine
PubChem CID84779850
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine
SMILESCCN1CCN(CCNC)S1(=O)=O
InChIInChI=1S/C7H17N3O2S/c1-3-9-6-7-10(5-4-8-2)13(9,11)12/h8H,3-7H2,1-2H3
InChIKeyFBUWIBPDHCNXOJ-UHFFFAOYSA-N
XLogP-0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine (CID 84779850) is 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine is CCN1CCN(CCNC)S1(=O)=O.
What is the InChIKey of 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
The InChIKey is FBUWIBPDHCNXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-3-9-6-7-10(5-4-8-2)13(9,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine has a molecular weight of 207.30 g/mol, XLogP of -0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine is sourced from PubChem (CID 84779850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).