azetidin-1-ylsulfonyl cyclohexanecarboxylate

C10H17NO4S — CID 137371666

IUPACazetidin-1-ylsulfonyl cyclohexanecarboxylate
SMILESO=C(OS(=O)(=O)N1CCC1)C1CCCCC1
InChIInChI=1S/C10H17NO4S/c12-10(9-5-2-1-3-6-9)15-16(13,14)11-7-4-8-11/h9H,1-8H2
InChIKeyCVJZPJDVNGWLDP-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.06
Rot. Bonds3

About azetidin-1-ylsulfonyl cyclohexanecarboxylate

azetidin-1-ylsulfonyl cyclohexanecarboxylate (PubChem CID 137371666) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is azetidin-1-ylsulfonyl cyclohexanecarboxylate.

Molecular Properties

Compound Nameazetidin-1-ylsulfonyl cyclohexanecarboxylate
PubChem CID137371666
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Nameazetidin-1-ylsulfonyl cyclohexanecarboxylate
SMILESO=C(OS(=O)(=O)N1CCC1)C1CCCCC1
InChIInChI=1S/C10H17NO4S/c12-10(9-5-2-1-3-6-9)15-16(13,14)11-7-4-8-11/h9H,1-8H2
InChIKeyCVJZPJDVNGWLDP-UHFFFAOYSA-N
XLogP1.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate
CID 91325427
methyl 1-piperidin-1-ylsulfonylazepane-3-carboxylate
CID 57416008
cyclooctanecarboperoxoic acid
CID 90238548
[2-(azepan-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 78759962
4-(cycloicosanecarbonyloxy)benzenesulfonic acid
CID 56638838
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
ethane;methyl cyclohexanecarboxylate
CID 90871014

Frequently Asked Questions

What is the IUPAC name of azetidin-1-ylsulfonyl cyclohexanecarboxylate?
The IUPAC name of azetidin-1-ylsulfonyl cyclohexanecarboxylate (CID 137371666) is azetidin-1-ylsulfonyl cyclohexanecarboxylate.
What is the SMILES notation for azetidin-1-ylsulfonyl cyclohexanecarboxylate?
The canonical SMILES for azetidin-1-ylsulfonyl cyclohexanecarboxylate is O=C(OS(=O)(=O)N1CCC1)C1CCCCC1.
What is the InChIKey of azetidin-1-ylsulfonyl cyclohexanecarboxylate?
The InChIKey is CVJZPJDVNGWLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(9-5-2-1-3-6-9)15-16(13,14)11-7-4-8-11/h9H,1-8H2.
What are the key properties of azetidin-1-ylsulfonyl cyclohexanecarboxylate?
azetidin-1-ylsulfonyl cyclohexanecarboxylate has a molecular weight of 247.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-ylsulfonyl cyclohexanecarboxylate is sourced from PubChem (CID 137371666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).