N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

C14H22F3N5O2S — CID 120876984

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H22F3N5O2S/c15-14(16,17)11(21-7-4-18-5-8-21)9-19-25(23,24)13-10-22-6-2-1-3-12(22)20-13/h10-11,18-19H,1-9H2
InChIKeyAQHHVVLRYPOKMP-UHFFFAOYSA-N
MW381.42 g/mol
LogP0.33
Rot. Bonds5

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (PubChem CID 120876984) has the molecular formula C14H22F3N5O2S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
PubChem CID120876984
Molecular FormulaC14H22F3N5O2S
Molecular Weight381.42 g/mol
Exact Mass381.14
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H22F3N5O2S/c15-14(16,17)11(21-7-4-18-5-8-21)9-19-25(23,24)13-10-22-6-2-1-3-12(22)20-13/h10-11,18-19H,1-9H2
InChIKeyAQHHVVLRYPOKMP-UHFFFAOYSA-N
XLogP0.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (CID 120876984) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCCC2.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The InChIKey is AQHHVVLRYPOKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O2S/c15-14(16,17)11(21-7-4-18-5-8-21)9-19-25(23,24)13-10-22-6-2-1-3-12(22)20-13/h10-11,18-19H,1-9H2.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide has a molecular weight of 381.42 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is sourced from PubChem (CID 120876984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).