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

C14H23F3N2O2S — CID 97240062

IUPACN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESO=S(=O)(N1CCC(CNC[C@@H]2CC=CCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H23F3N2O2S/c15-14(16,17)22(20,21)19-8-6-13(7-9-19)11-18-10-12-4-2-1-3-5-12/h1-2,12-13,18H,3-11H2/t12-/m1/s1
InChIKeyNWKNRCVFCZPZKD-GFCCVEGCSA-N
MW340.41 g/mol
LogP2.49
Rot. Bonds5

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

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 97240062) has the molecular formula C14H23F3N2O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
PubChem CID97240062
Molecular FormulaC14H23F3N2O2S
Molecular Weight340.41 g/mol
Exact Mass340.14
IUPAC NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESO=S(=O)(N1CCC(CNC[C@@H]2CC=CCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H23F3N2O2S/c15-14(16,17)22(20,21)19-8-6-13(7-9-19)11-18-10-12-4-2-1-3-5-12/h1-2,12-13,18H,3-11H2/t12-/m1/s1
InChIKeyNWKNRCVFCZPZKD-GFCCVEGCSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.49
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

6-Piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 69115799
(4-Fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
CID 143465958
N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 170070186
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-[[(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

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine (CID 97240062) is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine is O=S(=O)(N1CCC(CNC[C@@H]2CC=CCC2)CC1)C(F)(F)F.
What is the InChIKey of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is NWKNRCVFCZPZKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23F3N2O2S/c15-14(16,17)22(20,21)19-8-6-13(7-9-19)11-18-10-12-4-2-1-3-5-12/h1-2,12-13,18H,3-11H2/t12-/m1/s1.
What are the key properties of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine?
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 340.41 g/mol, XLogP of 2.49, 5 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-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 97240062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).