[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

C19H25NO4S — CID 97417332

IUPAC[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1
InChIInChI=1S/C19H25NO4S/c1-24-16-7-9-17(10-8-16)25(22,23)18-11-13-20(14-12-18)19(21)15-5-3-2-4-6-15/h2-3,7-10,15,18H,4-6,11-14H2,1H3/t15-/m1/s1
InChIKeyGLUDWCMSFFSZGB-OAHLLOKOSA-N
MW363.48 g/mol
LogP2.82
Rot. Bonds4

About [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 97417332) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID97417332
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1
InChIInChI=1S/C19H25NO4S/c1-24-16-7-9-17(10-8-16)25(22,23)18-11-13-20(14-12-18)19(21)15-5-3-2-4-6-15/h2-3,7-10,15,18H,4-6,11-14H2,1H3/t15-/m1/s1
InChIKeyGLUDWCMSFFSZGB-OAHLLOKOSA-N
XLogP2.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (CID 97417332) is [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is GLUDWCMSFFSZGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-24-16-7-9-17(10-8-16)25(22,23)18-11-13-20(14-12-18)19(21)15-5-3-2-4-6-15/h2-3,7-10,15,18H,4-6,11-14H2,1H3/t15-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 363.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 97417332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).