4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine

C12H19NO3S — CID 12559930

IUPAC4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine
SMILESCS(=O)(=O)/C=C(/C1=CCCC1)N1CCOCC1
InChIInChI=1S/C12H19NO3S/c1-17(14,15)10-12(11-4-2-3-5-11)13-6-8-16-9-7-13/h4,10H,2-3,5-9H2,1H3/b12-10-
InChIKeyJXEUZEMPFVRWHJ-BENRWUELSA-N
MW257.35 g/mol
LogP1.31
Rot. Bonds3

About 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine

4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine (PubChem CID 12559930) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine
PubChem CID12559930
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine
SMILESCS(=O)(=O)/C=C(/C1=CCCC1)N1CCOCC1
InChIInChI=1S/C12H19NO3S/c1-17(14,15)10-12(11-4-2-3-5-11)13-6-8-16-9-7-13/h4,10H,2-3,5-9H2,1H3/b12-10-
InChIKeyJXEUZEMPFVRWHJ-BENRWUELSA-N
XLogP1.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine?
The IUPAC name of 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine (CID 12559930) is 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine.
What is the SMILES notation for 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine?
The canonical SMILES for 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine is CS(=O)(=O)/C=C(/C1=CCCC1)N1CCOCC1.
What is the InChIKey of 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine?
The InChIKey is JXEUZEMPFVRWHJ-BENRWUELSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-17(14,15)10-12(11-4-2-3-5-11)13-6-8-16-9-7-13/h4,10H,2-3,5-9H2,1H3/b12-10-.
What are the key properties of 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine?
4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine has a molecular weight of 257.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine is sourced from PubChem (CID 12559930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).