3-propan-2-yl-1-propan-2-ylsulfonylazetidine

C9H19NO2S — CID 121339915

IUPAC3-propan-2-yl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)C1CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-7(2)9-5-10(6-9)13(11,12)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyNJXFHTUOBNFKJW-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.31
Rot. Bonds3

About 3-propan-2-yl-1-propan-2-ylsulfonylazetidine

3-propan-2-yl-1-propan-2-ylsulfonylazetidine (PubChem CID 121339915) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-propan-2-yl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-propan-2-yl-1-propan-2-ylsulfonylazetidine
PubChem CID121339915
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-propan-2-yl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)C1CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-7(2)9-5-10(6-9)13(11,12)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyNJXFHTUOBNFKJW-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-propan-2-yl-1-propan-2-ylsulfonylazetidine (CID 121339915) is 3-propan-2-yl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-propan-2-yl-1-propan-2-ylsulfonylazetidine is CC(C)C1CN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
The InChIKey is NJXFHTUOBNFKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)9-5-10(6-9)13(11,12)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
3-propan-2-yl-1-propan-2-ylsulfonylazetidine has a molecular weight of 205.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 121339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).