4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine

C19H27NO3S — CID 3242828

IUPAC4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine
SMILESO=S(=O)(Cc1ccccc1)/C1=C(\N2CCOCC2)CCCCCC1
InChIInChI=1S/C19H27NO3S/c21-24(22,16-17-8-4-3-5-9-17)19-11-7-2-1-6-10-18(19)20-12-14-23-15-13-20/h3-5,8-9H,1-2,6-7,10-16H2/b19-18-
InChIKeyWTTVOCYOYAWGTM-HNENSFHCSA-N
MW349.50 g/mol
LogP3.50
Rot. Bonds4

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

4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine (PubChem CID 3242828) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine.

Molecular Properties

Compound Name4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine
PubChem CID3242828
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine
SMILESO=S(=O)(Cc1ccccc1)/C1=C(\N2CCOCC2)CCCCCC1
InChIInChI=1S/C19H27NO3S/c21-24(22,16-17-8-4-3-5-9-17)19-11-7-2-1-6-10-18(19)20-12-14-23-15-13-20/h3-5,8-9H,1-2,6-7,10-16H2/b19-18-
InChIKeyWTTVOCYOYAWGTM-HNENSFHCSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine?
The IUPAC name of 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine (CID 3242828) is 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine.
What is the SMILES notation for 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine?
The canonical SMILES for 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine is O=S(=O)(Cc1ccccc1)/C1=C(\N2CCOCC2)CCCCCC1.
What is the InChIKey of 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine?
The InChIKey is WTTVOCYOYAWGTM-HNENSFHCSA-N. The full InChI is InChI=1S/C19H27NO3S/c21-24(22,16-17-8-4-3-5-9-17)19-11-7-2-1-6-10-18(19)20-12-14-23-15-13-20/h3-5,8-9H,1-2,6-7,10-16H2/b19-18-.
What are the key properties of 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine?
4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine has a molecular weight of 349.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-2-benzylsulfonylcycloocten-1-yl]morpholine is sourced from PubChem (CID 3242828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).