S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine

C7H10N6S — CID 54210546

IUPACS-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine
SMILESNCCc1ncc2[nH]c(SN)nc2n1
InChIInChI=1S/C7H10N6S/c8-2-1-5-10-3-4-6(12-5)13-7(11-4)14-9/h3H,1-2,8-9H2,(H,10,11,12,13)
InChIKeyPVQGUYSYHNHZSA-UHFFFAOYSA-N
MW210.27 g/mol
LogP-0.18
Rot. Bonds3

About S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine

S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine (PubChem CID 54210546) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine
PubChem CID54210546
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC NameS-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine
SMILESNCCc1ncc2[nH]c(SN)nc2n1
InChIInChI=1S/C7H10N6S/c8-2-1-5-10-3-4-6(12-5)13-7(11-4)14-9/h3H,1-2,8-9H2,(H,10,11,12,13)
InChIKeyPVQGUYSYHNHZSA-UHFFFAOYSA-N
XLogP-0.18
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine 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

N-methyl-2-propyl-7H-purin-8-amine
CID 175456681
2-(2-methoxyethyl)-7H-purin-8-amine
CID 150775461
8-prop-2-enylsulfanyl-7H-purin-2-amine
CID 70599685
2-(7H-purin-8-yl)ethanamine
CID 83671812
2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 82410094
2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine
CID 105439663
N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine
CID 119091949
2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine
CID 83816945
2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
CID 82409935
2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione
CID 82396060
6-(7H-purin-8-yl)hexan-1-amine
CID 114402076
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930

Frequently Asked Questions

What is the IUPAC name of S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine?
The IUPAC name of S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine (CID 54210546) is S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine.
What is the SMILES notation for S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine?
The canonical SMILES for S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine is NCCc1ncc2[nH]c(SN)nc2n1.
What is the InChIKey of S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine?
The InChIKey is PVQGUYSYHNHZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c8-2-1-5-10-3-4-6(12-5)13-7(11-4)14-9/h3H,1-2,8-9H2,(H,10,11,12,13).
What are the key properties of S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine?
S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine has a molecular weight of 210.27 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine is sourced from PubChem (CID 54210546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).