[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

C7H15ClF2N2O2S — CID 54592998

IUPAC[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2O2S.ClH/c8-7(9)14(12,13)11-3-1-6(5-10)2-4-11;/h6-7H,1-5,10H2;1H
InChIKeyBYDWNRFQQJMGPU-UHFFFAOYSA-N
MW264.72 g/mol
LogP0.63
Rot. Bonds3

About [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 54592998) has the molecular formula C7H15ClF2N2O2S and a molecular weight of 264.72 g/mol. Its IUPAC name is [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID54592998
Molecular FormulaC7H15ClF2N2O2S
Molecular Weight264.72 g/mol
Exact Mass264.05
IUPAC Name[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2O2S.ClH/c8-7(9)14(12,13)11-3-1-6(5-10)2-4-11;/h6-7H,1-5,10H2;1H
InChIKeyBYDWNRFQQJMGPU-UHFFFAOYSA-N
XLogP0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Trifluoromethanesulfonylpiperidin-4-yl)methanamine
CID 43605368
N-(Piperidin-4-ylmethyl)methanesulfonamide hydrochloride
CID 44630864
(1-Methanesulfonylpiperidin-4-yl)methanamine hydrochloride
CID 53256363
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17762144
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine
CID 17762145
(1-Methanesulfonylpiperidin-4-yl)methanamine
CID 21025186
1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide
CID 22040246
(1-((Difluoromethyl)sulfonyl)piperidin-4-yl)methanamine
CID 43605257
N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 57993191
1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 61791527
1,1,1-trifluoro-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 61793869
1-Methylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545889

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (CID 54592998) is [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is BYDWNRFQQJMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S.ClH/c8-7(9)14(12,13)11-3-1-6(5-10)2-4-11;/h6-7H,1-5,10H2;1H.
What are the key properties of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 264.72 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 54592998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).