3-cyclohexylsulfonyl-1-ethylsulfonylazetidine

C11H21NO4S2 — CID 71809362

IUPAC3-cyclohexylsulfonyl-1-ethylsulfonylazetidine
SMILESCCS(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H21NO4S2/c1-2-17(13,14)12-8-11(9-12)18(15,16)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyVQPCTSOKSUFMQI-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.77
Rot. Bonds4

About 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine

3-cyclohexylsulfonyl-1-ethylsulfonylazetidine (PubChem CID 71809362) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine.

Molecular Properties

Compound Name3-cyclohexylsulfonyl-1-ethylsulfonylazetidine
PubChem CID71809362
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Name3-cyclohexylsulfonyl-1-ethylsulfonylazetidine
SMILESCCS(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H21NO4S2/c1-2-17(13,14)12-8-11(9-12)18(15,16)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyVQPCTSOKSUFMQI-UHFFFAOYSA-N
XLogP0.77
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine?
The IUPAC name of 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine (CID 71809362) is 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine.
What is the SMILES notation for 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine?
The canonical SMILES for 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine is CCS(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine?
The InChIKey is VQPCTSOKSUFMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-2-17(13,14)12-8-11(9-12)18(15,16)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine?
3-cyclohexylsulfonyl-1-ethylsulfonylazetidine has a molecular weight of 295.43 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonyl-1-ethylsulfonylazetidine is sourced from PubChem (CID 71809362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).