3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine

C9H19F2N3O2S — CID 43252302

IUPAC3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H19F2N3O2S/c1-8(6-12)7-13-2-4-14(5-3-13)17(15,16)9(10)11/h8-9H,2-7,12H2,1H3
InChIKeyWZOQXGLXFOVNKZ-UHFFFAOYSA-N
MW271.33 g/mol
LogP-0.25
Rot. Bonds5

About 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine

3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 43252302) has the molecular formula C9H19F2N3O2S and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID43252302
Molecular FormulaC9H19F2N3O2S
Molecular Weight271.33 g/mol
Exact Mass271.12
IUPAC Name3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H19F2N3O2S/c1-8(6-12)7-13-2-4-14(5-3-13)17(15,16)9(10)11/h8-9H,2-7,12H2,1H3
InChIKeyWZOQXGLXFOVNKZ-UHFFFAOYSA-N
XLogP-0.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
N-[[1-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 69191416
N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811669
N-[[1-(3,3-dimethylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811729
N-[[4-(2-fluoroethyl)-1-(3-methylbutan-2-yl)piperazin-2-yl]methyl]methanesulfonamide
CID 87729038
N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
CID 118241722
N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
CID 118241771
N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide
CID 139343709
N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 166008470
N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide
CID 166776011
3-[4-(Difluoromethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 43251278
4-[4-(Difluoromethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 43252267

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 43252302) is 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(CN)CN1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is WZOQXGLXFOVNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3O2S/c1-8(6-12)7-13-2-4-14(5-3-13)17(15,16)9(10)11/h8-9H,2-7,12H2,1H3.
What are the key properties of 3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
3-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 271.33 g/mol, XLogP of -0.25, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 43252302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).