1-(fluoromethylsulfonyl)piperidin-4-amine

C6H13FN2O2S — CID 67402414

IUPAC1-(fluoromethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CF)CC1
InChIInChI=1S/C6H13FN2O2S/c7-5-12(10,11)9-3-1-6(8)2-4-9/h6H,1-5,8H2
InChIKeyPONPOLKTMCAYHN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.33
Rot. Bonds2

About 1-(fluoromethylsulfonyl)piperidin-4-amine

1-(fluoromethylsulfonyl)piperidin-4-amine (PubChem CID 67402414) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(fluoromethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(fluoromethylsulfonyl)piperidin-4-amine
PubChem CID67402414
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name1-(fluoromethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CF)CC1
InChIInChI=1S/C6H13FN2O2S/c7-5-12(10,11)9-3-1-6(8)2-4-9/h6H,1-5,8H2
InChIKeyPONPOLKTMCAYHN-UHFFFAOYSA-N
XLogP-0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Piperidin-4-yl)methanesulfonamide
CID 16227261
1-(Methanesulfonyl)piperidin-4-amine
CID 11355826
1-(Methanesulfonyl)-3-aminopiperidine
CID 19623288
N-(piperidin-3-yl)methanesulfonamide
CID 20113226
4-Amino-1-ethanesulfonylpiperidine
CID 16776186
1-Methanesulfonylpiperidin-4-amine hydrochloride
CID 17221636
N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 20569935
1-Trifluoromethanesulfonylpiperidin-4-amine
CID 43556400
1-Methanesulfonylpiperidin-3-amine hydrochloride
CID 45792405
N-methyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 45792536
N-Methyl-1-(methylsulfonyl)-4-piperidinamine
CID 18758393
1-methanesulfonyl-N-methylpiperidin-4-amine hydrochloride
CID 71756038

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(fluoromethylsulfonyl)piperidin-4-amine (CID 67402414) is 1-(fluoromethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(fluoromethylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(fluoromethylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)CF)CC1.
What is the InChIKey of 1-(fluoromethylsulfonyl)piperidin-4-amine?
The InChIKey is PONPOLKTMCAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c7-5-12(10,11)9-3-1-6(8)2-4-9/h6H,1-5,8H2.
What are the key properties of 1-(fluoromethylsulfonyl)piperidin-4-amine?
1-(fluoromethylsulfonyl)piperidin-4-amine has a molecular weight of 196.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 67402414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).