3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine

C11H23NO4S2 — CID 136548119

IUPAC3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine
SMILESCCC1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO4S2/c1-5-10-8-12(9-10)18(15,16)7-6-11(2,3)17(4,13)14/h10H,5-9H2,1-4H3
InChIKeyPFCRSBSYQJZXQY-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.87
Rot. Bonds6

About 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine

3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine (PubChem CID 136548119) has the molecular formula C11H23NO4S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine.

Molecular Properties

Compound Name3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine
PubChem CID136548119
Molecular FormulaC11H23NO4S2
Molecular Weight297.44 g/mol
Exact Mass297.11
IUPAC Name3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine
SMILESCCC1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO4S2/c1-5-10-8-12(9-10)18(15,16)7-6-11(2,3)17(4,13)14/h10H,5-9H2,1-4H3
InChIKeyPFCRSBSYQJZXQY-UHFFFAOYSA-N
XLogP0.87
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine?
The IUPAC name of 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine (CID 136548119) is 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine.
What is the SMILES notation for 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine?
The canonical SMILES for 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine is CCC1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1.
What is the InChIKey of 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine?
The InChIKey is PFCRSBSYQJZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S2/c1-5-10-8-12(9-10)18(15,16)7-6-11(2,3)17(4,13)14/h10H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine?
3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine has a molecular weight of 297.44 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine is sourced from PubChem (CID 136548119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).