1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide

C8H17F2N3O2S — CID 63265343

IUPAC1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CCN1CCNCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2N3O2S/c1-12(16(14,15)8(9)10)6-7-13-4-2-11-3-5-13/h8,11H,2-7H2,1H3
InChIKeyPSHNEIPRSKOAHM-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.62
Rot. Bonds5

About 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide

1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 63265343) has the molecular formula C8H17F2N3O2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID63265343
Molecular FormulaC8H17F2N3O2S
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC Name1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CCN1CCNCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2N3O2S/c1-12(16(14,15)8(9)10)6-7-13-4-2-11-3-5-13/h8,11H,2-7H2,1H3
InChIKeyPSHNEIPRSKOAHM-UHFFFAOYSA-N
XLogP-0.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 63265343) is 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide is CN(CCN1CCNCC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is PSHNEIPRSKOAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2S/c1-12(16(14,15)8(9)10)6-7-13-4-2-11-3-5-13/h8,11H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 63265343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).