N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide

C11H24N4O4S — CID 77012577

IUPACN'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide
SMILESCOCCCS(=O)(=O)N1CCN(C(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4O4S/c1-10(11(12)13-16)14-4-6-15(7-5-14)20(17,18)9-3-8-19-2/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyOVTAYBPGAIIMCK-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.89
Rot. Bonds7

About N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide (PubChem CID 77012577) has the molecular formula C11H24N4O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide
PubChem CID77012577
Molecular FormulaC11H24N4O4S
Molecular Weight308.40 g/mol
Exact Mass308.15
IUPAC NameN'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide
SMILESCOCCCS(=O)(=O)N1CCN(C(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4O4S/c1-10(11(12)13-16)14-4-6-15(7-5-14)20(17,18)9-3-8-19-2/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyOVTAYBPGAIIMCK-UHFFFAOYSA-N
XLogP-0.89
TPSA108.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide (CID 77012577) is N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide is COCCCS(=O)(=O)N1CCN(C(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide?
The InChIKey is OVTAYBPGAIIMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O4S/c1-10(11(12)13-16)14-4-6-15(7-5-14)20(17,18)9-3-8-19-2/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide has a molecular weight of 308.40 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).