N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide

C11H16F3N3O2S2 — CID 120778648

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3N3O2S2/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10/h1-2,7,9,15-16H,3-6,8H2
InChIKeyJXCCQEQOYIHHQI-UHFFFAOYSA-N
MW343.40 g/mol
LogP0.86
Rot. Bonds5

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 120778648) has the molecular formula C11H16F3N3O2S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID120778648
Molecular FormulaC11H16F3N3O2S2
Molecular Weight343.40 g/mol
Exact Mass343.06
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3N3O2S2/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10/h1-2,7,9,15-16H,3-6,8H2
InChIKeyJXCCQEQOYIHHQI-UHFFFAOYSA-N
XLogP0.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide (CID 120778648) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccs1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is JXCCQEQOYIHHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S2/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10/h1-2,7,9,15-16H,3-6,8H2.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 343.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 120778648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).