N,3-dimethylthiiran-2-amine

C4H9NS — CID 123388249

IUPACN,3-dimethylthiiran-2-amine
SMILESCNC1SC1C
InChIInChI=1S/C4H9NS/c1-3-4(5-2)6-3/h3-5H,1-2H3
InChIKeyUTQPDIKDXFFXCF-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.67
Rot. Bonds1

About N,3-dimethylthiiran-2-amine

N,3-dimethylthiiran-2-amine (PubChem CID 123388249) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is N,3-dimethylthiiran-2-amine.

Molecular Properties

Compound NameN,3-dimethylthiiran-2-amine
PubChem CID123388249
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC NameN,3-dimethylthiiran-2-amine
SMILESCNC1SC1C
InChIInChI=1S/C4H9NS/c1-3-4(5-2)6-3/h3-5H,1-2H3
InChIKeyUTQPDIKDXFFXCF-UHFFFAOYSA-N
XLogP0.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylthiiran-2-amine?
The IUPAC name of N,3-dimethylthiiran-2-amine (CID 123388249) is N,3-dimethylthiiran-2-amine.
What is the SMILES notation for N,3-dimethylthiiran-2-amine?
The canonical SMILES for N,3-dimethylthiiran-2-amine is CNC1SC1C.
What is the InChIKey of N,3-dimethylthiiran-2-amine?
The InChIKey is UTQPDIKDXFFXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-3-4(5-2)6-3/h3-5H,1-2H3.
What are the key properties of N,3-dimethylthiiran-2-amine?
N,3-dimethylthiiran-2-amine has a molecular weight of 103.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylthiiran-2-amine is sourced from PubChem (CID 123388249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).