(2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine

C16H17NO3S — CID 118366697

IUPAC(2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine
SMILESO=S(=O)(c1ccccc1)N1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19,16-9-5-2-6-10-16)17-11-15(17)13-20-12-14-7-3-1-4-8-14/h1-10,15H,11-13H2/t15-,17?/m1/s1
InChIKeyJQFVMZSEGSKUAN-LDCVWXEPSA-N
MW303.38 g/mol
LogP2.28
Rot. Bonds6

About (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine

(2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine (PubChem CID 118366697) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine
PubChem CID118366697
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine
SMILESO=S(=O)(c1ccccc1)N1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19,16-9-5-2-6-10-16)17-11-15(17)13-20-12-14-7-3-1-4-8-14/h1-10,15H,11-13H2/t15-,17?/m1/s1
InChIKeyJQFVMZSEGSKUAN-LDCVWXEPSA-N
XLogP2.28
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(phenylmethoxymethyl)aziridine?
The IUPAC name of (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine (CID 118366697) is (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine is O=S(=O)(c1ccccc1)N1C[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine?
The InChIKey is JQFVMZSEGSKUAN-LDCVWXEPSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,16-9-5-2-6-10-16)17-11-15(17)13-20-12-14-7-3-1-4-8-14/h1-10,15H,11-13H2/t15-,17?/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine?
(2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine has a molecular weight of 303.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-2-(phenylmethoxymethyl)aziridine is sourced from PubChem (CID 118366697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).