N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine

C15H28N2O2S — CID 103276215

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC1=CC(C)CC(CNC2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H28N2O2S/c1-12-8-13(2)10-14(9-12)11-16-15-4-6-17(7-5-15)20(3,18)19/h8,12,14-16H,4-7,9-11H2,1-3H3
InChIKeyRZSWBODPZATWOR-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.99
Rot. Bonds4

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 103276215) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID103276215
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC1=CC(C)CC(CNC2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H28N2O2S/c1-12-8-13(2)10-14(9-12)11-16-15-4-6-17(7-5-15)20(3,18)19/h8,12,14-16H,4-7,9-11H2,1-3H3
InChIKeyRZSWBODPZATWOR-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.99
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

1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
CID 103276499
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
CID 103276630
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103276855
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122679
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253467
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 119036320
N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 99635515
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103277043
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 103277705
N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 84595460

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 103276215) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine is CC1=CC(C)CC(CNC2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is RZSWBODPZATWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-12-8-13(2)10-14(9-12)11-16-15-4-6-17(7-5-15)20(3,18)19/h8,12,14-16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 300.47 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 103276215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).