(4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine

C12H21FN2O2S — CID 143465958

IUPAC(4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
SMILESNCC1C=CC(F)CC1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H21FN2O2S/c13-11-5-4-10(9-14)12(8-11)18(16,17)15-6-2-1-3-7-15/h4-5,10-12H,1-3,6-9,14H2
InChIKeyPMPFAWPPCSVGKB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.04
Rot. Bonds3

About (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine

(4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine (PubChem CID 143465958) has the molecular formula C12H21FN2O2S and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
PubChem CID143465958
Molecular FormulaC12H21FN2O2S
Molecular Weight276.38 g/mol
Exact Mass276.13
IUPAC Name(4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
SMILESNCC1C=CC(F)CC1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H21FN2O2S/c13-11-5-4-10(9-14)12(8-11)18(16,17)15-6-2-1-3-7-15/h4-5,10-12H,1-3,6-9,14H2
InChIKeyPMPFAWPPCSVGKB-UHFFFAOYSA-N
XLogP1.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.04
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
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75387504
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-[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
1-(piperidin-4-ylmethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490308
1-(piperidin-3-ylmethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490312
Methyl 3-piperidin-3-ylprop-2-ene-1-sulfonate
CID 174541535
1-(4-Cyclobutylbut-2-enylsulfonyl)piperidin-4-amine
CID 174634991
1-(Cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazin-1-ium
CID 4073184

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine?
The IUPAC name of (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine (CID 143465958) is (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine is NCC1C=CC(F)CC1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine?
The InChIKey is PMPFAWPPCSVGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O2S/c13-11-5-4-10(9-14)12(8-11)18(16,17)15-6-2-1-3-7-15/h4-5,10-12H,1-3,6-9,14H2.
What are the key properties of (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine?
(4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 143465958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).