1-(3-ethylsulfinylprop-1-en-2-yl)aziridine

C7H13NOS — CID 134986134

IUPAC1-(3-ethylsulfinylprop-1-en-2-yl)aziridine
SMILESC=C(CS(=O)CC)N1CC1
InChIInChI=1S/C7H13NOS/c1-3-10(9)6-7(2)8-4-5-8/h2-6H2,1H3
InChIKeyHWTTXNPPTQNVCJ-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.58
Rot. Bonds4

About 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine

1-(3-ethylsulfinylprop-1-en-2-yl)aziridine (PubChem CID 134986134) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine.

Molecular Properties

Compound Name1-(3-ethylsulfinylprop-1-en-2-yl)aziridine
PubChem CID134986134
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name1-(3-ethylsulfinylprop-1-en-2-yl)aziridine
SMILESC=C(CS(=O)CC)N1CC1
InChIInChI=1S/C7H13NOS/c1-3-10(9)6-7(2)8-4-5-8/h2-6H2,1H3
InChIKeyHWTTXNPPTQNVCJ-UHFFFAOYSA-N
XLogP0.58
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.58
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-(3-ethylsulfinylprop-1-en-2-yl)aziridine?
The IUPAC name of 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine (CID 134986134) is 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine.
What is the SMILES notation for 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine?
The canonical SMILES for 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine is C=C(CS(=O)CC)N1CC1.
What is the InChIKey of 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine?
The InChIKey is HWTTXNPPTQNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-3-10(9)6-7(2)8-4-5-8/h2-6H2,1H3.
What are the key properties of 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine?
1-(3-ethylsulfinylprop-1-en-2-yl)aziridine has a molecular weight of 159.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfinylprop-1-en-2-yl)aziridine is sourced from PubChem (CID 134986134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).