ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate

C15H24N2O5S — CID 71785553

IUPACethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C15H24N2O5S/c1-2-22-15(19)11-4-3-7-16(8-11)14(18)12-9-17(10-12)23(20,21)13-5-6-13/h11-13H,2-10H2,1H3
InChIKeyDMIBUVUWHJMMAA-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.21
Rot. Bonds5

About ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 71785553) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate
PubChem CID71785553
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Nameethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C15H24N2O5S/c1-2-22-15(19)11-4-3-7-16(8-11)14(18)12-9-17(10-12)23(20,21)13-5-6-13/h11-13H,2-10H2,1H3
InChIKeyDMIBUVUWHJMMAA-UHFFFAOYSA-N
XLogP0.21
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate (CID 71785553) is ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1.
What is the InChIKey of ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is DMIBUVUWHJMMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-2-22-15(19)11-4-3-7-16(8-11)14(18)12-9-17(10-12)23(20,21)13-5-6-13/h11-13H,2-10H2,1H3.
What are the key properties of ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 344.43 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-cyclopropylsulfonylazetidine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 71785553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).