5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide

C16H25N3O4S — CID 54583138

IUPAC5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide
SMILESO=C(CCCCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO
InChIInChI=1S/C16H25N3O4S/c20-16(17-21)8-4-5-9-18-10-12-19(13-11-18)24(22,23)14-15-6-2-1-3-7-15/h1-3,6-7,21H,4-5,8-14H2,(H,17,20)
InChIKeyIJNAONZFBKCERD-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.81
Rot. Bonds8

About 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide

5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide (PubChem CID 54583138) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide.

Molecular Properties

Compound Name5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide
PubChem CID54583138
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide
SMILESO=C(CCCCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO
InChIInChI=1S/C16H25N3O4S/c20-16(17-21)8-4-5-9-18-10-12-19(13-11-18)24(22,23)14-15-6-2-1-3-7-15/h1-3,6-7,21H,4-5,8-14H2,(H,17,20)
InChIKeyIJNAONZFBKCERD-UHFFFAOYSA-N
XLogP0.81
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
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1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
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2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide?
The IUPAC name of 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide (CID 54583138) is 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide.
What is the SMILES notation for 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide?
The canonical SMILES for 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide is O=C(CCCCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO.
What is the InChIKey of 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide?
The InChIKey is IJNAONZFBKCERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c20-16(17-21)8-4-5-9-18-10-12-19(13-11-18)24(22,23)14-15-6-2-1-3-7-15/h1-3,6-7,21H,4-5,8-14H2,(H,17,20).
What are the key properties of 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide?
5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide has a molecular weight of 355.46 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide is sourced from PubChem (CID 54583138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).