1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide

C8H17F2N3O2S — CID 43443244

IUPAC1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(NCCCN1CCNCC1)C(F)F
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)16(14,15)12-2-1-5-13-6-3-11-4-7-13/h8,11-12H,1-7H2
InChIKeyKASRMMZVIMWWFF-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.58
Rot. Bonds6

About 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide

1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide (PubChem CID 43443244) has the molecular formula C8H17F2N3O2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
PubChem CID43443244
Molecular FormulaC8H17F2N3O2S
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC Name1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(NCCCN1CCNCC1)C(F)F
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)16(14,15)12-2-1-5-13-6-3-11-4-7-13/h8,11-12H,1-7H2
InChIKeyKASRMMZVIMWWFF-UHFFFAOYSA-N
XLogP-0.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
CID 20571260
1-Difluoromethanesulfonylpiperazine
CID 28606469
1-(4,4,4-Trifluorobutylsulfonyl)piperazine
CID 54512311
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221
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-[[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
1-Methylsulfonyl-2-(trifluoromethyl)piperazine
CID 130440436
1-(Methylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137519225

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide (CID 43443244) is 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide is O=S(=O)(NCCCN1CCNCC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The InChIKey is KASRMMZVIMWWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2S/c9-8(10)16(14,15)12-2-1-5-13-6-3-11-4-7-13/h8,11-12H,1-7H2.
What are the key properties of 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 43443244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).