1-butylsulfonyl-3-methylsulfonylazetidine

C8H17NO4S2 — CID 136546462

IUPAC1-butylsulfonyl-3-methylsulfonylazetidine
SMILESCCCCS(=O)(=O)N1CC(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO4S2/c1-3-4-5-15(12,13)9-6-8(7-9)14(2,10)11/h8H,3-7H2,1-2H3
InChIKeyGUSHOKKXXPHUOG-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.15
Rot. Bonds5

About 1-butylsulfonyl-3-methylsulfonylazetidine

1-butylsulfonyl-3-methylsulfonylazetidine (PubChem CID 136546462) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-butylsulfonyl-3-methylsulfonylazetidine.

Molecular Properties

Compound Name1-butylsulfonyl-3-methylsulfonylazetidine
PubChem CID136546462
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC Name1-butylsulfonyl-3-methylsulfonylazetidine
SMILESCCCCS(=O)(=O)N1CC(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO4S2/c1-3-4-5-15(12,13)9-6-8(7-9)14(2,10)11/h8H,3-7H2,1-2H3
InChIKeyGUSHOKKXXPHUOG-UHFFFAOYSA-N
XLogP-0.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-3-methylsulfonylazetidine?
The IUPAC name of 1-butylsulfonyl-3-methylsulfonylazetidine (CID 136546462) is 1-butylsulfonyl-3-methylsulfonylazetidine.
What is the SMILES notation for 1-butylsulfonyl-3-methylsulfonylazetidine?
The canonical SMILES for 1-butylsulfonyl-3-methylsulfonylazetidine is CCCCS(=O)(=O)N1CC(S(C)(=O)=O)C1.
What is the InChIKey of 1-butylsulfonyl-3-methylsulfonylazetidine?
The InChIKey is GUSHOKKXXPHUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-3-4-5-15(12,13)9-6-8(7-9)14(2,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-butylsulfonyl-3-methylsulfonylazetidine?
1-butylsulfonyl-3-methylsulfonylazetidine has a molecular weight of 255.36 g/mol, XLogP of -0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-3-methylsulfonylazetidine is sourced from PubChem (CID 136546462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).