2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine

C6H15N3O2S — CID 117002968

IUPAC2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCNS1(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-8(2)5-6-9-4-3-7-12(9,10)11/h7H,3-6H2,1-2H3
InChIKeyWVTNUOCLIUPQTB-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.30
Rot. Bonds3

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

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine (PubChem CID 117002968) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine
PubChem CID117002968
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCNS1(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-8(2)5-6-9-4-3-7-12(9,10)11/h7H,3-6H2,1-2H3
InChIKeyWVTNUOCLIUPQTB-UHFFFAOYSA-N
XLogP-1.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
N'-(2-(dimethylamino)ethyl)-N,N-dimethylsulfamide
CID 425313
2-Isopropyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10397135
2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
2-Methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10393280
2-Butyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 11412706
2-(tert-Butyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 12412514
(2-Dimethylaminoethyl)sulfamoyl chloride
CID 19361100
1-(Diethylamino)-2-(sulfinatoamino)ethane
CID 57205497
2-(2-Aminoethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57697904
2-(2-Methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 58799874
N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 59779738

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine (CID 117002968) is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine is CN(C)CCN1CCNS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine?
The InChIKey is WVTNUOCLIUPQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-8(2)5-6-9-4-3-7-12(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine?
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine has a molecular weight of 193.27 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 117002968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).