2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C11H24N4O3S — CID 55201585

IUPAC2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCCS(=O)(=O)CCN1CCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O3S/c1-3-19(17,18)9-8-14-4-6-15(7-5-14)10(2)11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyOSECXDVTXVVYBZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP-0.83
Rot. Bonds6

About 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 55201585) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID55201585
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC Name2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCCS(=O)(=O)CCN1CCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O3S/c1-3-19(17,18)9-8-14-4-6-15(7-5-14)10(2)11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyOSECXDVTXVVYBZ-UHFFFAOYSA-N
XLogP-0.83
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide
CID 43581531
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 43581532
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide
CID 43581535
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43581536
3-[2-ethylsulfonylethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54998537
N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 55202948
N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide
CID 55203110
2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide
CID 55203139
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxybutanimidamide
CID 55203331
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide
CID 61555787
N'-hydroxy-2-(1-oxo-1,4-thiazinan-4-yl)propanimidamide
CID 61691417

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 55201585) is 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CCS(=O)(=O)CCN1CCN(C(C)/C(N)=N/O)CC1.
What is the InChIKey of 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is OSECXDVTXVVYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-3-19(17,18)9-8-14-4-6-15(7-5-14)10(2)11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 292.41 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55201585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).