(2R)-2-(5-propylthiophen-2-yl)aziridine

C9H13NS — CID 55263258

IUPAC(2R)-2-(5-propylthiophen-2-yl)aziridine
SMILESCCCc1ccc([C@H]2CN2)s1
InChIInChI=1S/C9H13NS/c1-2-3-7-4-5-9(11-7)8-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyMEQDBLCAALQFRJ-MRVPVSSYSA-N
MW167.28 g/mol
LogP2.34
Rot. Bonds3

About (2R)-2-(5-propylthiophen-2-yl)aziridine

(2R)-2-(5-propylthiophen-2-yl)aziridine (PubChem CID 55263258) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2R)-2-(5-propylthiophen-2-yl)aziridine.

Molecular Properties

Compound Name(2R)-2-(5-propylthiophen-2-yl)aziridine
PubChem CID55263258
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2R)-2-(5-propylthiophen-2-yl)aziridine
SMILESCCCc1ccc([C@H]2CN2)s1
InChIInChI=1S/C9H13NS/c1-2-3-7-4-5-9(11-7)8-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyMEQDBLCAALQFRJ-MRVPVSSYSA-N
XLogP2.34
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(5-propylthiophen-2-yl)aziridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-propylthiophen-2-yl)aziridine?
The IUPAC name of (2R)-2-(5-propylthiophen-2-yl)aziridine (CID 55263258) is (2R)-2-(5-propylthiophen-2-yl)aziridine.
What is the SMILES notation for (2R)-2-(5-propylthiophen-2-yl)aziridine?
The canonical SMILES for (2R)-2-(5-propylthiophen-2-yl)aziridine is CCCc1ccc([C@H]2CN2)s1.
What is the InChIKey of (2R)-2-(5-propylthiophen-2-yl)aziridine?
The InChIKey is MEQDBLCAALQFRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-3-7-4-5-9(11-7)8-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-(5-propylthiophen-2-yl)aziridine?
(2R)-2-(5-propylthiophen-2-yl)aziridine has a molecular weight of 167.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-propylthiophen-2-yl)aziridine is sourced from PubChem (CID 55263258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).