3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine

C12H23NO2S — CID 167184639

IUPAC3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine
SMILESCC(C)C1CC(CN2CC(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H23NO2S/c1-9(2)11-4-10(5-11)6-13-7-12(8-13)16(3,14)15/h9-12H,4-8H2,1-3H3
InChIKeyQHSRAEIIIYZKQU-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.40
Rot. Bonds4

About 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine

3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine (PubChem CID 167184639) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine.

Molecular Properties

Compound Name3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine
PubChem CID167184639
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine
SMILESCC(C)C1CC(CN2CC(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H23NO2S/c1-9(2)11-4-10(5-11)6-13-7-12(8-13)16(3,14)15/h9-12H,4-8H2,1-3H3
InChIKeyQHSRAEIIIYZKQU-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine?
The IUPAC name of 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine (CID 167184639) is 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine.
What is the SMILES notation for 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine?
The canonical SMILES for 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine is CC(C)C1CC(CN2CC(S(C)(=O)=O)C2)C1.
What is the InChIKey of 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine?
The InChIKey is QHSRAEIIIYZKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9(2)11-4-10(5-11)6-13-7-12(8-13)16(3,14)15/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine?
3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine has a molecular weight of 245.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine is sourced from PubChem (CID 167184639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).