ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate

C14H24N2O4S — CID 154999466

IUPACethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2S(=O)(=O)N2CC(C)C2)C1
InChIInChI=1S/C14H24N2O4S/c1-3-20-14(17)15-8-11(9-15)4-12-5-13(12)21(18,19)16-6-10(2)7-16/h10-13H,3-9H2,1-2H3
InChIKeySWPHNUQJTYEQOO-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.13
Rot. Bonds5

About ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate

ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate (PubChem CID 154999466) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate
PubChem CID154999466
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Nameethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2S(=O)(=O)N2CC(C)C2)C1
InChIInChI=1S/C14H24N2O4S/c1-3-20-14(17)15-8-11(9-15)4-12-5-13(12)21(18,19)16-6-10(2)7-16/h10-13H,3-9H2,1-2H3
InChIKeySWPHNUQJTYEQOO-UHFFFAOYSA-N
XLogP1.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate?
The IUPAC name of ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate (CID 154999466) is ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate?
The canonical SMILES for ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate is CCOC(=O)N1CC(CC2CC2S(=O)(=O)N2CC(C)C2)C1.
What is the InChIKey of ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate?
The InChIKey is SWPHNUQJTYEQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-20-14(17)15-8-11(9-15)4-12-5-13(12)21(18,19)16-6-10(2)7-16/h10-13H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate?
ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 154999466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).