N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine

C14H24F2N2O2S — CID 97326167

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESO=S(=O)(C(F)F)N1CCC(CNC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C14H24F2N2O2S/c15-14(16)21(19,20)18-8-6-13(7-9-18)11-17-10-12-4-2-1-3-5-12/h1-2,12-14,17H,3-11H2/t12-/m0/s1
InChIKeyMPINJACSSUTOIG-LBPRGKRZSA-N
MW322.42 g/mol
LogP2.20
Rot. Bonds6

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

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 97326167) has the molecular formula C14H24F2N2O2S and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
PubChem CID97326167
Molecular FormulaC14H24F2N2O2S
Molecular Weight322.42 g/mol
Exact Mass322.15
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESO=S(=O)(C(F)F)N1CCC(CNC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C14H24F2N2O2S/c15-14(16)21(19,20)18-8-6-13(7-9-18)11-17-10-12-4-2-1-3-5-12/h1-2,12-14,17H,3-11H2/t12-/m0/s1
InChIKeyMPINJACSSUTOIG-LBPRGKRZSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.20
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-(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-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 84583924
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

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine (CID 97326167) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine is O=S(=O)(C(F)F)N1CCC(CNC[C@H]2CC=CCC2)CC1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is MPINJACSSUTOIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24F2N2O2S/c15-14(16)21(19,20)18-8-6-13(7-9-18)11-17-10-12-4-2-1-3-5-12/h1-2,12-14,17H,3-11H2/t12-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 322.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 97326167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).