2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

C11H21ClF3N3O3S — CID 120813268

IUPAC2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCCS(=O)(=O)CC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C11H20F3N3O3S.ClH/c1-2-21(19,20)8-10(18)16-7-9(11(12,13)14)17-5-3-15-4-6-17;/h9,15H,2-8H2,1H3,(H,16,18);1H
InChIKeyFQPXFMNCLSHAPL-UHFFFAOYSA-N
MW367.82 g/mol
LogP-0.20
Rot. Bonds6

About 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 120813268) has the molecular formula C11H21ClF3N3O3S and a molecular weight of 367.82 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID120813268
Molecular FormulaC11H21ClF3N3O3S
Molecular Weight367.82 g/mol
Exact Mass367.09
IUPAC Name2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCCS(=O)(=O)CC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C11H20F3N3O3S.ClH/c1-2-21(19,20)8-10(18)16-7-9(11(12,13)14)17-5-3-15-4-6-17;/h9,15H,2-8H2,1H3,(H,16,18);1H
InChIKeyFQPXFMNCLSHAPL-UHFFFAOYSA-N
XLogP-0.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 120813268) is 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is CCS(=O)(=O)CC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is FQPXFMNCLSHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S.ClH/c1-2-21(19,20)8-10(18)16-7-9(11(12,13)14)17-5-3-15-4-6-17;/h9,15H,2-8H2,1H3,(H,16,18);1H.
What are the key properties of 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 367.82 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 120813268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).