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

C10H22N4O4S — CID 55203111

IUPACN'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide
SMILESCOCCCS(=O)(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O4S/c1-18-7-2-8-19(16,17)14-5-3-13(4-6-14)9-10(11)12-15/h15H,2-9H2,1H3,(H2,11,12)
InChIKeyBAOAAHYHQQBUKT-UHFFFAOYSA-N
MW294.38 g/mol
LogP-1.28
Rot. Bonds7

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

N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide (PubChem CID 55203111) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide
PubChem CID55203111
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC NameN'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide
SMILESCOCCCS(=O)(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O4S/c1-18-7-2-8-19(16,17)14-5-3-13(4-6-14)9-10(11)12-15/h15H,2-9H2,1H3,(H2,11,12)
InChIKeyBAOAAHYHQQBUKT-UHFFFAOYSA-N
XLogP-1.28
TPSA108.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-1.28
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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Related Compounds

N'-hydroxy-2-[oxan-4-ylsulfonyl(propyl)amino]ethanimidamide
CID 55031020
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
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide
CID 55250196
2-[4-(2-Methoxyethylsulfonyl)piperazin-1-yl]propanimidamide
CID 64406371
2-[4-(3-Methoxypropylsulfonyl)piperazin-1-yl]propanimidamide
CID 64406574
2-[4-(2-Ethoxyethylsulfonyl)piperazin-1-yl]propanimidamide
CID 64406782
2-[4-(2-Methoxyethylsulfonyl)piperazin-1-yl]ethanimidamide
CID 64407196
2-[4-(3-Methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide
CID 64407197
2-[4-(2-Ethoxyethylsulfonyl)piperazin-1-yl]ethanimidamide
CID 64407402
N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 76174876

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide (CID 55203111) is N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide is COCCCS(=O)(=O)N1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide?
The InChIKey is BAOAAHYHQQBUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4S/c1-18-7-2-8-19(16,17)14-5-3-13(4-6-14)9-10(11)12-15/h15H,2-9H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanimidamide has a molecular weight of 294.38 g/mol, XLogP of -1.28, 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]ethanimidamide is sourced from PubChem (CID 55203111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).