2-(1,2,5-thiadiazolidin-2-yl)ethanamine

C4H11N3S — CID 123308254

IUPAC2-(1,2,5-thiadiazolidin-2-yl)ethanamine
SMILESNCCN1CCNS1
InChIInChI=1S/C4H11N3S/c5-1-3-7-4-2-6-8-7/h6H,1-5H2
InChIKeyWOZXHOQDJSCKIC-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.59
Rot. Bonds2

About 2-(1,2,5-thiadiazolidin-2-yl)ethanamine

2-(1,2,5-thiadiazolidin-2-yl)ethanamine (PubChem CID 123308254) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-(1,2,5-thiadiazolidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,5-thiadiazolidin-2-yl)ethanamine
PubChem CID123308254
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name2-(1,2,5-thiadiazolidin-2-yl)ethanamine
SMILESNCCN1CCNS1
InChIInChI=1S/C4H11N3S/c5-1-3-7-4-2-6-8-7/h6H,1-5H2
InChIKeyWOZXHOQDJSCKIC-UHFFFAOYSA-N
XLogP-0.59
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
2-Methyl-1,2,5-thiadiazolidine 1-oxide
CID 23516050
2-Methyl-1,2,5-thiadiazolidine
CID 57798923
2-Ethyl-1,2,5-thiadiazolidine
CID 70101760
N-(2-aminoethyl)-N-ethylthiohydroxylamine
CID 88508689
2-Ethyl-1,2,5-thiadiazolidine 1-oxide
CID 89189912
2-Propan-2-yl-1,2,5-thiadiazolidine
CID 123695274
N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine
CID 134458223
N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine
CID 138576370
2-(5-Methyl-1,2,5-thiadiazolidin-2-yl)ethanamine
CID 142741769
[Bis(2-aminoethyl)amino] thiohypoiodite
CID 145616643
N,N-bis(2-aminoethyl)thiohydroxylamine
CID 167298608

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,5-thiadiazolidin-2-yl)ethanamine?
The IUPAC name of 2-(1,2,5-thiadiazolidin-2-yl)ethanamine (CID 123308254) is 2-(1,2,5-thiadiazolidin-2-yl)ethanamine.
What is the SMILES notation for 2-(1,2,5-thiadiazolidin-2-yl)ethanamine?
The canonical SMILES for 2-(1,2,5-thiadiazolidin-2-yl)ethanamine is NCCN1CCNS1.
What is the InChIKey of 2-(1,2,5-thiadiazolidin-2-yl)ethanamine?
The InChIKey is WOZXHOQDJSCKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c5-1-3-7-4-2-6-8-7/h6H,1-5H2.
What are the key properties of 2-(1,2,5-thiadiazolidin-2-yl)ethanamine?
2-(1,2,5-thiadiazolidin-2-yl)ethanamine has a molecular weight of 133.22 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5-thiadiazolidin-2-yl)ethanamine is sourced from PubChem (CID 123308254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).