1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol

C11H23NO3S — CID 134963859

IUPAC1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)C1CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2,3)9(13)8-7-12(8)16(14,15)11(4,5)6/h8-9,13H,7H2,1-6H3
InChIKeyPMCWIFRAFVKMDT-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds2

About 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol

1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 134963859) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID134963859
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)C1CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2,3)9(13)8-7-12(8)16(14,15)11(4,5)6/h8-9,13H,7H2,1-6H3
InChIKeyPMCWIFRAFVKMDT-UHFFFAOYSA-N
XLogP1.21
TPSA57.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
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 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol (CID 134963859) is 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)C1CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is PMCWIFRAFVKMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2,3)9(13)8-7-12(8)16(14,15)11(4,5)6/h8-9,13H,7H2,1-6H3.
What are the key properties of 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol?
1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylsulfonylaziridin-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 134963859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).