2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide

C12H24N4O3S — CID 77011980

IUPAC2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(S(=O)(=O)C2CCCCC2)CC1)=NO
InChIInChI=1S/C12H24N4O3S/c13-12(14-17)10-15-6-8-16(9-7-15)20(18,19)11-4-2-1-3-5-11/h11,17H,1-10H2,(H2,13,14)
InChIKeyLBRLBUCYLOZOHT-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.01
Rot. Bonds4

About 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide

2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide (PubChem CID 77011980) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide
PubChem CID77011980
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(S(=O)(=O)C2CCCCC2)CC1)=NO
InChIInChI=1S/C12H24N4O3S/c13-12(14-17)10-15-6-8-16(9-7-15)20(18,19)11-4-2-1-3-5-11/h11,17H,1-10H2,(H2,13,14)
InChIKeyLBRLBUCYLOZOHT-UHFFFAOYSA-N
XLogP0.01
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide (CID 77011980) is 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide is NC(CN1CCN(S(=O)(=O)C2CCCCC2)CC1)=NO.
What is the InChIKey of 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is LBRLBUCYLOZOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c13-12(14-17)10-15-6-8-16(9-7-15)20(18,19)11-4-2-1-3-5-11/h11,17H,1-10H2,(H2,13,14).
What are the key properties of 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide?
2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 304.42 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77011980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).