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

C9H19F2N3O2S — CID 55201393

IUPAC2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H19F2N3O2S/c1-9(2,7-12)13-3-5-14(6-4-13)17(15,16)8(10)11/h8H,3-7,12H2,1-2H3
InChIKeyPDNUBPPDJKFGEP-UHFFFAOYSA-N
MW271.33 g/mol
LogP-0.11
Rot. Bonds4

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

2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 55201393) has the molecular formula C9H19F2N3O2S and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID55201393
Molecular FormulaC9H19F2N3O2S
Molecular Weight271.33 g/mol
Exact Mass271.12
IUPAC Name2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H19F2N3O2S/c1-9(2,7-12)13-3-5-14(6-4-13)17(15,16)8(10)11/h8H,3-7,12H2,1-2H3
InChIKeyPDNUBPPDJKFGEP-UHFFFAOYSA-N
XLogP-0.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 55201393) is 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is PDNUBPPDJKFGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3O2S/c1-9(2,7-12)13-3-5-14(6-4-13)17(15,16)8(10)11/h8H,3-7,12H2,1-2H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 271.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 55201393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).