3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide

C10H17F3N6O2S — CID 120876964

IUPAC3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N6O2S/c1-18-9(7-15-17-18)22(20,21)16-6-8(10(11,12)13)19-4-2-14-3-5-19/h7-8,14,16H,2-6H2,1H3
InChIKeyVRMVKXQNISPJBT-UHFFFAOYSA-N
MW342.35 g/mol
LogP-1.07
Rot. Bonds5

About 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide

3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide (PubChem CID 120876964) has the molecular formula C10H17F3N6O2S and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide
PubChem CID120876964
Molecular FormulaC10H17F3N6O2S
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N6O2S/c1-18-9(7-15-17-18)22(20,21)16-6-8(10(11,12)13)19-4-2-14-3-5-19/h7-8,14,16H,2-6H2,1H3
InChIKeyVRMVKXQNISPJBT-UHFFFAOYSA-N
XLogP-1.07
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778834
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778702
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778396
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 120778635
methyl 2-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]benzoate;hydrochloride
CID 120778601
2,4,5-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778859
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778792
2-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778781
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778647
4,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide (CID 120876964) is 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide is Cn1nncc1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide?
The InChIKey is VRMVKXQNISPJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6O2S/c1-18-9(7-15-17-18)22(20,21)16-6-8(10(11,12)13)19-4-2-14-3-5-19/h7-8,14,16H,2-6H2,1H3.
What are the key properties of 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide?
3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide has a molecular weight of 342.35 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide is sourced from PubChem (CID 120876964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).