1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine

C11H23NO4S2 — CID 72719082

IUPAC1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCCCCS(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1
InChIInChI=1S/C11H23NO4S2/c1-4-5-6-18(15,16)12-7-11(8-12)17(13,14)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyJLMZXGCDFBVNBL-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.87
Rot. Bonds7

About 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine

1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine (PubChem CID 72719082) has the molecular formula C11H23NO4S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
PubChem CID72719082
Molecular FormulaC11H23NO4S2
Molecular Weight297.44 g/mol
Exact Mass297.11
IUPAC Name1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCCCCS(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1
InChIInChI=1S/C11H23NO4S2/c1-4-5-6-18(15,16)12-7-11(8-12)17(13,14)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyJLMZXGCDFBVNBL-UHFFFAOYSA-N
XLogP0.87
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The IUPAC name of 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine (CID 72719082) is 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine is CCCCS(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1.
What is the InChIKey of 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The InChIKey is JLMZXGCDFBVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S2/c1-4-5-6-18(15,16)12-7-11(8-12)17(13,14)9-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine has a molecular weight of 297.44 g/mol, XLogP of 0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-3-(2-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 72719082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).