(2R)-1-(benzenesulfonyl)-2-ethylaziridine

C10H13NO2S — CID 22957230

IUPAC(2R)-1-(benzenesulfonyl)-2-ethylaziridine
SMILESCC[C@@H]1CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-2-9-8-11(9)14(12,13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/t9-,11?/m1/s1
InChIKeyCTUOTGYJTHYEDK-BFHBGLAWSA-N
MW211.29 g/mol
LogP1.47
Rot. Bonds3

About (2R)-1-(benzenesulfonyl)-2-ethylaziridine

(2R)-1-(benzenesulfonyl)-2-ethylaziridine (PubChem CID 22957230) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-2-ethylaziridine.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-2-ethylaziridine
PubChem CID22957230
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2R)-1-(benzenesulfonyl)-2-ethylaziridine
SMILESCC[C@@H]1CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-2-9-8-11(9)14(12,13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/t9-,11?/m1/s1
InChIKeyCTUOTGYJTHYEDK-BFHBGLAWSA-N
XLogP1.47
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.47
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 (2R)-1-(benzenesulfonyl)-2-ethylaziridine?
The IUPAC name of (2R)-1-(benzenesulfonyl)-2-ethylaziridine (CID 22957230) is (2R)-1-(benzenesulfonyl)-2-ethylaziridine.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-2-ethylaziridine?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-2-ethylaziridine is CC[C@@H]1CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-2-ethylaziridine?
The InChIKey is CTUOTGYJTHYEDK-BFHBGLAWSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-9-8-11(9)14(12,13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/t9-,11?/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-2-ethylaziridine?
(2R)-1-(benzenesulfonyl)-2-ethylaziridine has a molecular weight of 211.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-2-ethylaziridine is sourced from PubChem (CID 22957230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).