2-methyl-1-propan-2-ylsulfonylazetidine

C7H15NO2S — CID 59266037

IUPAC2-methyl-1-propan-2-ylsulfonylazetidine
SMILESCC1CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO2S/c1-6(2)11(9,10)8-5-4-7(8)3/h6-7H,4-5H2,1-3H3
InChIKeyRZHKYEXAILLLJI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds2

About 2-methyl-1-propan-2-ylsulfonylazetidine

2-methyl-1-propan-2-ylsulfonylazetidine (PubChem CID 59266037) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylsulfonylazetidine
PubChem CID59266037
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methyl-1-propan-2-ylsulfonylazetidine
SMILESCC1CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO2S/c1-6(2)11(9,10)8-5-4-7(8)3/h6-7H,4-5H2,1-3H3
InChIKeyRZHKYEXAILLLJI-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 2-methyl-1-propan-2-ylsulfonylazetidine (CID 59266037) is 2-methyl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 2-methyl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 2-methyl-1-propan-2-ylsulfonylazetidine is CC1CCN1S(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylsulfonylazetidine?
The InChIKey is RZHKYEXAILLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)11(9,10)8-5-4-7(8)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylsulfonylazetidine?
2-methyl-1-propan-2-ylsulfonylazetidine has a molecular weight of 177.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 59266037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).