(2R)-2-thiophen-3-ylaziridine

C6H7NS — CID 172991225

IUPAC(2R)-2-thiophen-3-ylaziridine
SMILESc1cc([C@@H]2CN2)cs1
InChIInChI=1S/C6H7NS/c1-2-8-4-5(1)6-3-7-6/h1-2,4,6-7H,3H2/t6-/m0/s1
InChIKeyROAFONHDEWNVAP-LURJTMIESA-N
MW125.20 g/mol
LogP1.39
Rot. Bonds1

About (2R)-2-thiophen-3-ylaziridine

(2R)-2-thiophen-3-ylaziridine (PubChem CID 172991225) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is (2R)-2-thiophen-3-ylaziridine.

Molecular Properties

Compound Name(2R)-2-thiophen-3-ylaziridine
PubChem CID172991225
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name(2R)-2-thiophen-3-ylaziridine
SMILESc1cc([C@@H]2CN2)cs1
InChIInChI=1S/C6H7NS/c1-2-8-4-5(1)6-3-7-6/h1-2,4,6-7H,3H2/t6-/m0/s1
InChIKeyROAFONHDEWNVAP-LURJTMIESA-N
XLogP1.39
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.39
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 (2R)-2-thiophen-3-ylaziridine?
The IUPAC name of (2R)-2-thiophen-3-ylaziridine (CID 172991225) is (2R)-2-thiophen-3-ylaziridine.
What is the SMILES notation for (2R)-2-thiophen-3-ylaziridine?
The canonical SMILES for (2R)-2-thiophen-3-ylaziridine is c1cc([C@@H]2CN2)cs1.
What is the InChIKey of (2R)-2-thiophen-3-ylaziridine?
The InChIKey is ROAFONHDEWNVAP-LURJTMIESA-N. The full InChI is InChI=1S/C6H7NS/c1-2-8-4-5(1)6-3-7-6/h1-2,4,6-7H,3H2/t6-/m0/s1.
What are the key properties of (2R)-2-thiophen-3-ylaziridine?
(2R)-2-thiophen-3-ylaziridine has a molecular weight of 125.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-thiophen-3-ylaziridine is sourced from PubChem (CID 172991225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).