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

C11H21F3N4O3S — CID 120778722

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H21F3N4O3S/c12-11(13,14)10(17-3-1-15-2-4-17)9-16-22(19,20)18-5-7-21-8-6-18/h10,15-16H,1-9H2
InChIKeyUBRSIFGJRBNCJK-UHFFFAOYSA-N
MW346.38 g/mol
LogP-1.01
Rot. Bonds5

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

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide (PubChem CID 120778722) has the molecular formula C11H21F3N4O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide
PubChem CID120778722
Molecular FormulaC11H21F3N4O3S
Molecular Weight346.38 g/mol
Exact Mass346.13
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H21F3N4O3S/c12-11(13,14)10(17-3-1-15-2-4-17)9-16-22(19,20)18-5-7-21-8-6-18/h10,15-16H,1-9H2
InChIKeyUBRSIFGJRBNCJK-UHFFFAOYSA-N
XLogP-1.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-1.01
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)morpholine-4-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide (CID 120778722) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide is O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide?
The InChIKey is UBRSIFGJRBNCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O3S/c12-11(13,14)10(17-3-1-15-2-4-17)9-16-22(19,20)18-5-7-21-8-6-18/h10,15-16H,1-9H2.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide has a molecular weight of 346.38 g/mol, XLogP of -1.01, 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)morpholine-4-sulfonamide is sourced from PubChem (CID 120778722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).