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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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).