(2S)-2-thiophen-2-ylaziridine

C6H7NS — CID 55263035

IUPAC(2S)-2-thiophen-2-ylaziridine
SMILESc1csc([C@@H]2CN2)c1
InChIInChI=1S/C6H7NS/c1-2-6(8-3-1)5-4-7-5/h1-3,5,7H,4H2/t5-/m0/s1
InChIKeyXUGDXCOKAYUFBY-YFKPBYRVSA-N
MW125.20 g/mol
LogP1.39
Rot. Bonds1

About (2S)-2-thiophen-2-ylaziridine

(2S)-2-thiophen-2-ylaziridine (PubChem CID 55263035) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is (2S)-2-thiophen-2-ylaziridine.

Molecular Properties

Compound Name(2S)-2-thiophen-2-ylaziridine
PubChem CID55263035
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name(2S)-2-thiophen-2-ylaziridine
SMILESc1csc([C@@H]2CN2)c1
InChIInChI=1S/C6H7NS/c1-2-6(8-3-1)5-4-7-5/h1-3,5,7H,4H2/t5-/m0/s1
InChIKeyXUGDXCOKAYUFBY-YFKPBYRVSA-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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Related Compounds

2-methyl-5-thiophen-2-ylthiomorpholine
CID 66243083
(2S)-2-thiophen-2-ylpiperidine
CID 7022116
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CID 83218118
6-methyl-3-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 66227089
3-methyl-2-thiophen-2-ylazetidine
CID 66350314
(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone
CID 169115683
(5-thiophen-2-ylpyrazolidin-3-yl)methanamine
CID 170906424
(3R)-3-thiophen-2-ylpiperazin-2-one
CID 52539209
(3R,4S)-4-thiophen-2-ylpiperidin-3-ol
CID 69452815
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
5-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 55271321
2-methyl-6-thiophen-2-ylpiperidin-3-amine
CID 165483665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-ylaziridine?
The IUPAC name of (2S)-2-thiophen-2-ylaziridine (CID 55263035) is (2S)-2-thiophen-2-ylaziridine.
What is the SMILES notation for (2S)-2-thiophen-2-ylaziridine?
The canonical SMILES for (2S)-2-thiophen-2-ylaziridine is c1csc([C@@H]2CN2)c1.
What is the InChIKey of (2S)-2-thiophen-2-ylaziridine?
The InChIKey is XUGDXCOKAYUFBY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7NS/c1-2-6(8-3-1)5-4-7-5/h1-3,5,7H,4H2/t5-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-ylaziridine?
(2S)-2-thiophen-2-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 (2S)-2-thiophen-2-ylaziridine is sourced from PubChem (CID 55263035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).