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

C5H13N3O2S — CID 82512140

IUPAC2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine
SMILESCNCCN1CCNS1(=O)=O
InChIInChI=1S/C5H13N3O2S/c1-6-2-4-8-5-3-7-11(8,9)10/h6-7H,2-5H2,1H3
InChIKeySYGYURSAWWBCOF-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.64
Rot. Bonds3

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

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine (PubChem CID 82512140) has the molecular formula C5H13N3O2S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine
PubChem CID82512140
Molecular FormulaC5H13N3O2S
Molecular Weight179.24 g/mol
Exact Mass179.07
IUPAC Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine
SMILESCNCCN1CCNS1(=O)=O
InChIInChI=1S/C5H13N3O2S/c1-6-2-4-8-5-3-7-11(8,9)10/h6-7H,2-5H2,1H3
InChIKeySYGYURSAWWBCOF-UHFFFAOYSA-N
XLogP-1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
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-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
CID 84806756
2-Butyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 11412706
2-(tert-Butyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 12412514
1-(Ethylamino)-2-(sulfinatoamino)ethane
CID 57069415
1-[Ethyl(sulfinato)amino]-2-(methylamino)ethane
CID 57199942
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
2-(Ethylamino)ethylsulfamic acid
CID 58800976

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine (CID 82512140) is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine is CNCCN1CCNS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
The InChIKey is SYGYURSAWWBCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-6-2-4-8-5-3-7-11(8,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine?
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine has a molecular weight of 179.24 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 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-methylethanamine is sourced from PubChem (CID 82512140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).