N-methylthiadiazolidin-2-amine

C3H9N3S — CID 163500863

IUPACN-methylthiadiazolidin-2-amine
SMILESCNN1NCCS1
InChIInChI=1S/C3H9N3S/c1-4-6-5-2-3-7-6/h4-5H,2-3H2,1H3
InChIKeyCUOWKKOORAJJMK-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.41
Rot. Bonds1

About N-methylthiadiazolidin-2-amine

N-methylthiadiazolidin-2-amine (PubChem CID 163500863) has the molecular formula C3H9N3S and a molecular weight of 119.19 g/mol. Its IUPAC name is N-methylthiadiazolidin-2-amine.

Molecular Properties

Compound NameN-methylthiadiazolidin-2-amine
PubChem CID163500863
Molecular FormulaC3H9N3S
Molecular Weight119.19 g/mol
Exact Mass119.05
IUPAC NameN-methylthiadiazolidin-2-amine
SMILESCNN1NCCS1
InChIInChI=1S/C3H9N3S/c1-4-6-5-2-3-7-6/h4-5H,2-3H2,1H3
InChIKeyCUOWKKOORAJJMK-UHFFFAOYSA-N
XLogP-0.41
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.41
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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Frequently Asked Questions

What is the IUPAC name of N-methylthiadiazolidin-2-amine?
The IUPAC name of N-methylthiadiazolidin-2-amine (CID 163500863) is N-methylthiadiazolidin-2-amine.
What is the SMILES notation for N-methylthiadiazolidin-2-amine?
The canonical SMILES for N-methylthiadiazolidin-2-amine is CNN1NCCS1.
What is the InChIKey of N-methylthiadiazolidin-2-amine?
The InChIKey is CUOWKKOORAJJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S/c1-4-6-5-2-3-7-6/h4-5H,2-3H2,1H3.
What are the key properties of N-methylthiadiazolidin-2-amine?
N-methylthiadiazolidin-2-amine has a molecular weight of 119.19 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiadiazolidin-2-amine is sourced from PubChem (CID 163500863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).