N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride

C10H21ClF3N3O2S — CID 120778775

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C10H20F3N3O2S.ClH/c1-2-7-19(17,18)15-8-9(10(11,12)13)16-5-3-14-4-6-16;/h9,14-15H,2-8H2,1H3;1H
InChIKeyUENCZNVJOACOPM-UHFFFAOYSA-N
MW339.81 g/mol
LogP0.57
Rot. Bonds6

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride (PubChem CID 120778775) has the molecular formula C10H21ClF3N3O2S and a molecular weight of 339.81 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
PubChem CID120778775
Molecular FormulaC10H21ClF3N3O2S
Molecular Weight339.81 g/mol
Exact Mass339.10
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C10H20F3N3O2S.ClH/c1-2-7-19(17,18)15-8-9(10(11,12)13)16-5-3-14-4-6-16;/h9,14-15H,2-8H2,1H3;1H
InChIKeyUENCZNVJOACOPM-UHFFFAOYSA-N
XLogP0.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
CID 120778630
1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120876969
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
2-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778781
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
CID 171276178
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 120778635
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778669
2,4,5-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778859
4,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778349
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778647

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride (CID 120778775) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride?
The InChIKey is UENCZNVJOACOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S.ClH/c1-2-7-19(17,18)15-8-9(10(11,12)13)16-5-3-14-4-6-16;/h9,14-15H,2-8H2,1H3;1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride has a molecular weight of 339.81 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120778775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).