[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride

C9H20ClFN2O2S — CID 119969134

IUPAC[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)CCCF
InChIInChI=1S/C9H19FN2O2S.ClH/c10-5-3-7-15(13,14)12-6-2-1-4-9(12)8-11;/h9H,1-8,11H2;1H
InChIKeyGPALWXSNHKMTQX-UHFFFAOYSA-N
MW274.79 g/mol
LogP0.91
Rot. Bonds5

About [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride

[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969134) has the molecular formula C9H20ClFN2O2S and a molecular weight of 274.79 g/mol. Its IUPAC name is [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
PubChem CID119969134
Molecular FormulaC9H20ClFN2O2S
Molecular Weight274.79 g/mol
Exact Mass274.09
IUPAC Name[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)CCCF
InChIInChI=1S/C9H19FN2O2S.ClH/c10-5-3-7-15(13,14)12-6-2-1-4-9(12)8-11;/h9H,1-8,11H2;1H
InChIKeyGPALWXSNHKMTQX-UHFFFAOYSA-N
XLogP0.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
CID 116814735
[1-(oxolan-2-ylmethylsulfonyl)azepan-2-yl]methanamine
CID 116640178
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide
CID 119989090
(1-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride (CID 119969134) is [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1S(=O)(=O)CCCF.
What is the InChIKey of [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is GPALWXSNHKMTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S.ClH/c10-5-3-7-15(13,14)12-6-2-1-4-9(12)8-11;/h9H,1-8,11H2;1H.
What are the key properties of [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).