1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine

C14H26N2O2S — CID 79609469

IUPAC1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine
SMILESCS(=O)(=O)N1CCCC(CNCC2CC=CCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-19(17,18)16-9-5-8-14(12-16)11-15-10-13-6-3-2-4-7-13/h2-3,13-15H,4-12H2,1H3
InChIKeyZPNJRIXAPOWITN-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.60
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine (PubChem CID 79609469) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine
PubChem CID79609469
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine
SMILESCS(=O)(=O)N1CCCC(CNCC2CC=CCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-19(17,18)16-9-5-8-14(12-16)11-15-10-13-6-3-2-4-7-13/h2-3,13-15H,4-12H2,1H3
InChIKeyZPNJRIXAPOWITN-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine (CID 79609469) is 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine is CS(=O)(=O)N1CCCC(CNCC2CC=CCC2)C1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine?
The InChIKey is ZPNJRIXAPOWITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-19(17,18)16-9-5-8-14(12-16)11-15-10-13-6-3-2-4-7-13/h2-3,13-15H,4-12H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine has a molecular weight of 286.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine is sourced from PubChem (CID 79609469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).