N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine

C13H21F3N2O2S — CID 97240146

IUPACN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine
SMILESO=S(=O)(N1CCC(NC[C@@H]2CC=CCC2)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2S/c14-13(15,16)21(19,20)18-8-6-12(7-9-18)17-10-11-4-2-1-3-5-11/h1-2,11-12,17H,3-10H2/t11-/m1/s1
InChIKeyAHAREYPYEZSTGI-LLVKDONJSA-N
MW326.38 g/mol
LogP2.25
Rot. Bonds4

About N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine (PubChem CID 97240146) has the molecular formula C13H21F3N2O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine
PubChem CID97240146
Molecular FormulaC13H21F3N2O2S
Molecular Weight326.38 g/mol
Exact Mass326.13
IUPAC NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine
SMILESO=S(=O)(N1CCC(NC[C@@H]2CC=CCC2)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2S/c14-13(15,16)21(19,20)18-8-6-12(7-9-18)17-10-11-4-2-1-3-5-11/h1-2,11-12,17H,3-10H2/t11-/m1/s1
InChIKeyAHAREYPYEZSTGI-LLVKDONJSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.25
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-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 170070186
N-(cyclohex-3-en-1-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61951310
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75377988
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-[[(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-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 98220489

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine (CID 97240146) is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine is O=S(=O)(N1CCC(NC[C@@H]2CC=CCC2)CC1)C(F)(F)F.
What is the InChIKey of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The InChIKey is AHAREYPYEZSTGI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21F3N2O2S/c14-13(15,16)21(19,20)18-8-6-12(7-9-18)17-10-11-4-2-1-3-5-11/h1-2,11-12,17H,3-10H2/t11-/m1/s1.
What are the key properties of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine?
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine has a molecular weight of 326.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 97240146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).