(2S)-2,3,3-trimethyl-1-methylsulfonylazetidine

C7H15NO2S — CID 163476380

IUPAC(2S)-2,3,3-trimethyl-1-methylsulfonylazetidine
SMILESC[C@@H]1N(S(C)(=O)=O)CC1(C)C
InChIInChI=1S/C7H15NO2S/c1-6-7(2,3)5-8(6)11(4,9)10/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyCAUBSCSEKFKLKH-LURJTMIESA-N
MW177.27 g/mol
LogP0.68
Rot. Bonds1

About (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine

(2S)-2,3,3-trimethyl-1-methylsulfonylazetidine (PubChem CID 163476380) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine.

Molecular Properties

Compound Name(2S)-2,3,3-trimethyl-1-methylsulfonylazetidine
PubChem CID163476380
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(2S)-2,3,3-trimethyl-1-methylsulfonylazetidine
SMILESC[C@@H]1N(S(C)(=O)=O)CC1(C)C
InChIInChI=1S/C7H15NO2S/c1-6-7(2,3)5-8(6)11(4,9)10/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyCAUBSCSEKFKLKH-LURJTMIESA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine?
The IUPAC name of (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine (CID 163476380) is (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine.
What is the SMILES notation for (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine?
The canonical SMILES for (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine is C[C@@H]1N(S(C)(=O)=O)CC1(C)C.
What is the InChIKey of (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine?
The InChIKey is CAUBSCSEKFKLKH-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6-7(2,3)5-8(6)11(4,9)10/h6H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine?
(2S)-2,3,3-trimethyl-1-methylsulfonylazetidine has a molecular weight of 177.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3-trimethyl-1-methylsulfonylazetidine is sourced from PubChem (CID 163476380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).