2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine

C11H16N2OS — CID 134984084

IUPAC2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine
SMILESCC(C)(C)[S@@](=O)N1C[C@@H]1c1ccccn1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)15(14)13-8-10(13)9-6-4-5-7-12-9/h4-7,10H,8H2,1-3H3/t10-,13?,15-/m1/s1
InChIKeyBBHFNRWCESHGGU-CCWWQKHMSA-N
MW224.33 g/mol
LogP1.90
Rot. Bonds2

About 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine

2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine (PubChem CID 134984084) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine
PubChem CID134984084
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine
SMILESCC(C)(C)[S@@](=O)N1C[C@@H]1c1ccccn1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)15(14)13-8-10(13)9-6-4-5-7-12-9/h4-7,10H,8H2,1-3H3/t10-,13?,15-/m1/s1
InChIKeyBBHFNRWCESHGGU-CCWWQKHMSA-N
XLogP1.90
TPSA32.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.90
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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Related Compounds

2-[(2R,3S)-1-[(R)-tert-butylsulfinyl]-3-ethenylaziridin-2-yl]pyridine
CID 11288167
1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane
CID 145275618
1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine
CID 138627412
2-methyl-3-pyridin-2-yl-1,2-oxazolidine
CID 101179409
2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile
CID 116982488
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one
CID 116978518
3-[(2R)-1-tert-butylsulfinylpyrrolidin-2-yl]-1,2-benzoxazole
CID 71728991
(3R,5S)-2-methyl-3-[(3S,5S)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 6541701
(3S,5R)-2-methyl-3-[(3S,5R)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 701268
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
tert-butyl(pyridin-2-yl)tin
CID 91871108

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine?
The IUPAC name of 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine (CID 134984084) is 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine.
What is the SMILES notation for 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine?
The canonical SMILES for 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine is CC(C)(C)[S@@](=O)N1C[C@@H]1c1ccccn1.
What is the InChIKey of 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine?
The InChIKey is BBHFNRWCESHGGU-CCWWQKHMSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2,3)15(14)13-8-10(13)9-6-4-5-7-12-9/h4-7,10H,8H2,1-3H3/t10-,13?,15-/m1/s1.
What are the key properties of 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine?
2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine has a molecular weight of 224.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine is sourced from PubChem (CID 134984084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).