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

C11H22ClF3N4O3S — CID 120778721

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H21F3N4O3S.ClH/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;1H
InChIKeyJZAWDYBYKKSYRM-UHFFFAOYSA-N
MW382.84 g/mol
LogP-0.59
Rot. Bonds5

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

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride (PubChem CID 120778721) has the molecular formula C11H22ClF3N4O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride
PubChem CID120778721
Molecular FormulaC11H22ClF3N4O3S
Molecular Weight382.84 g/mol
Exact Mass382.11
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H21F3N4O3S.ClH/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;1H
InChIKeyJZAWDYBYKKSYRM-UHFFFAOYSA-N
XLogP-0.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 5-0.59
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;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride (CID 120778721) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is JZAWDYBYKKSYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O3S.ClH/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;1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-4-sulfonamide;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of -0.59, 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;hydrochloride is sourced from PubChem (CID 120778721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).