3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine

C10H21F2N3O2S — CID 43252352

IUPAC3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H21F2N3O2S/c1-2-9(3-4-13)14-5-7-15(8-6-14)18(16,17)10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyCUXPYXCCSDQGEX-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.28
Rot. Bonds6

About 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine

3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine (PubChem CID 43252352) has the molecular formula C10H21F2N3O2S and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
PubChem CID43252352
Molecular FormulaC10H21F2N3O2S
Molecular Weight285.36 g/mol
Exact Mass285.13
IUPAC Name3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H21F2N3O2S/c1-2-9(3-4-13)14-5-7-15(8-6-14)18(16,17)10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyCUXPYXCCSDQGEX-UHFFFAOYSA-N
XLogP0.28
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43556400
N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
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1-Methyl-propylpiperidinium bis(trifluoromethyl sulfonyl)imide
CID 129830256
[(1R,2R)-2-(dibutylamino)cyclohexyl]azanium;trifluoromethanesulfonate
CID 139194513
N-methyl-N-{2-[(1-methylpiperidin-4-yl)amino]ethyl}methanesulfonamide
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N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 75431194
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
CID 20571260
1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide
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CID 28606479

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine (CID 43252352) is 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is CUXPYXCCSDQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3O2S/c1-2-9(3-4-13)14-5-7-15(8-6-14)18(16,17)10(11)12/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 285.36 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43252352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).