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

C8H16F3N3O2S — CID 43607074

IUPAC1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(NCCCN1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)17(15,16)13-2-1-5-14-6-3-12-4-7-14/h12-13H,1-7H2
InChIKeyYZSFBLNPPROUTP-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.28
Rot. Bonds5

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

1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide (PubChem CID 43607074) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
PubChem CID43607074
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(NCCCN1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)17(15,16)13-2-1-5-14-6-3-12-4-7-14/h12-13H,1-7H2
InChIKeyYZSFBLNPPROUTP-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
CID 20571260
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
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-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl)piperazine
CID 129218133
Bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpiperazin-1-ium
CID 140074076
2-Piperazin-1-ium-1-ylethanamine;trifluoromethanesulfonate
CID 141722063
Bis(trifluoromethylsulfonyl)azanide;2-piperazin-1-ium-1-ylethanamine
CID 141722070

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide (CID 43607074) is 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide is O=S(=O)(NCCCN1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The InChIKey is YZSFBLNPPROUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)17(15,16)13-2-1-5-14-6-3-12-4-7-14/h12-13H,1-7H2.
What are the key properties of 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide has a molecular weight of 275.30 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 43607074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).