3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine

C11H21NO4S2 — CID 81197481

IUPAC3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine
SMILESCS(=O)(=O)C1CCCC(S(=O)(=O)CC2CNC2)C1
InChIInChI=1S/C11H21NO4S2/c1-17(13,14)10-3-2-4-11(5-10)18(15,16)8-9-6-12-7-9/h9-12H,2-8H2,1H3
InChIKeyREMVOVPMMKOSPZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP-0.02
Rot. Bonds4

About 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine

3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine (PubChem CID 81197481) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine.

Molecular Properties

Compound Name3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine
PubChem CID81197481
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Name3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine
SMILESCS(=O)(=O)C1CCCC(S(=O)(=O)CC2CNC2)C1
InChIInChI=1S/C11H21NO4S2/c1-17(13,14)10-3-2-4-11(5-10)18(15,16)8-9-6-12-7-9/h9-12H,2-8H2,1H3
InChIKeyREMVOVPMMKOSPZ-UHFFFAOYSA-N
XLogP-0.02
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine?
The IUPAC name of 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine (CID 81197481) is 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine.
What is the SMILES notation for 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine?
The canonical SMILES for 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine is CS(=O)(=O)C1CCCC(S(=O)(=O)CC2CNC2)C1.
What is the InChIKey of 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine?
The InChIKey is REMVOVPMMKOSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-17(13,14)10-3-2-4-11(5-10)18(15,16)8-9-6-12-7-9/h9-12H,2-8H2,1H3.
What are the key properties of 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine?
3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine has a molecular weight of 295.43 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine is sourced from PubChem (CID 81197481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).