1-thiophen-2-ylaziridine

C6H7NS — CID 87415757

IUPAC1-thiophen-2-ylaziridine
SMILESc1csc(N2CC2)c1
InChIInChI=1S/C6H7NS/c1-2-6(8-5-1)7-3-4-7/h1-2,5H,3-4H2
InChIKeyVVUDICWVPOXAPE-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.57
Rot. Bonds1

About 1-thiophen-2-ylaziridine

1-thiophen-2-ylaziridine (PubChem CID 87415757) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 1-thiophen-2-ylaziridine.

Molecular Properties

Compound Name1-thiophen-2-ylaziridine
PubChem CID87415757
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name1-thiophen-2-ylaziridine
SMILESc1csc(N2CC2)c1
InChIInChI=1S/C6H7NS/c1-2-6(8-5-1)7-3-4-7/h1-2,5H,3-4H2
InChIKeyVVUDICWVPOXAPE-UHFFFAOYSA-N
XLogP1.57
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
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 1-thiophen-2-ylaziridine?
The IUPAC name of 1-thiophen-2-ylaziridine (CID 87415757) is 1-thiophen-2-ylaziridine.
What is the SMILES notation for 1-thiophen-2-ylaziridine?
The canonical SMILES for 1-thiophen-2-ylaziridine is c1csc(N2CC2)c1.
What is the InChIKey of 1-thiophen-2-ylaziridine?
The InChIKey is VVUDICWVPOXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-2-6(8-5-1)7-3-4-7/h1-2,5H,3-4H2.
What are the key properties of 1-thiophen-2-ylaziridine?
1-thiophen-2-ylaziridine has a molecular weight of 125.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylaziridine is sourced from PubChem (CID 87415757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).