N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine

C13H24N2O2S — CID 43432044

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c1-18(16,17)15-9-7-13(8-10-15)14-11-12-5-3-2-4-6-12/h2-3,12-14H,4-11H2,1H3
InChIKeyZBSPZMHZMJVAFS-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.36
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine

N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43432044) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43432044
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c1-18(16,17)15-9-7-13(8-10-15)14-11-12-5-3-2-4-6-12/h2-3,12-14H,4-11H2,1H3
InChIKeyZBSPZMHZMJVAFS-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42949879
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75387504
N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 75387534
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75431534
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97240062
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97240063
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 97240146
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 97240147
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326166
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326167
N-(1-{[(4S)-4-isopropenylcyclohex-1-en-1-yl]methyl}piperidin-4-yl)methanesulfonamide
CID 50973206
N-[(1S,2R)-2-amino-1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propyl]methanesulfonamide
CID 59725061

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine (CID 43432044) is N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCC2CC=CCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ZBSPZMHZMJVAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-18(16,17)15-9-7-13(8-10-15)14-11-12-5-3-2-4-6-12/h2-3,12-14H,4-11H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 272.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43432044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).