2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide

C14H20N2O4S — CID 54583088

IUPAC2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
SMILESO=C(CC1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO
InChIInChI=1S/C14H20N2O4S/c17-14(15-18)10-12-6-8-16(9-7-12)21(19,20)11-13-4-2-1-3-5-13/h1-5,12,18H,6-11H2,(H,15,17)
InChIKeyMJYWWSVTBRRRSC-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.12
Rot. Bonds5

About 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide

2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide (PubChem CID 54583088) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
PubChem CID54583088
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
SMILESO=C(CC1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO
InChIInChI=1S/C14H20N2O4S/c17-14(15-18)10-12-6-8-16(9-7-12)21(19,20)11-13-4-2-1-3-5-13/h1-5,12,18H,6-11H2,(H,15,17)
InChIKeyMJYWWSVTBRRRSC-UHFFFAOYSA-N
XLogP1.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide
CID 54583138
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
CID 119330437
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
1-benzylsulfonyl-4-(2-bromoethoxy)piperidine
CID 82701182
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide (CID 54583088) is 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide is O=C(CC1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO.
What is the InChIKey of 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide?
The InChIKey is MJYWWSVTBRRRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14(15-18)10-12-6-8-16(9-7-12)21(19,20)11-13-4-2-1-3-5-13/h1-5,12,18H,6-11H2,(H,15,17).
What are the key properties of 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide?
2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide has a molecular weight of 312.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide is sourced from PubChem (CID 54583088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).