N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide

C14H20N2O3S — CID 58982080

IUPACN-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide
SMILESCSc1ncccc1C(=O)CCCCCCC(=O)NO
InChIInChI=1S/C14H20N2O3S/c1-20-14-11(7-6-10-15-14)12(17)8-4-2-3-5-9-13(18)16-19/h6-7,10,19H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyYBSIVKCTHYZSBO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.83
Rot. Bonds9

About N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide

N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide (PubChem CID 58982080) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide
PubChem CID58982080
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide
SMILESCSc1ncccc1C(=O)CCCCCCC(=O)NO
InChIInChI=1S/C14H20N2O3S/c1-20-14-11(7-6-10-15-14)12(17)8-4-2-3-5-9-13(18)16-19/h6-7,10,19H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyYBSIVKCTHYZSBO-UHFFFAOYSA-N
XLogP2.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.83
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

methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
tert-butyl N-[5-(2-tert-butylsulfanyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102542254
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
1-(2-bromo-3-pyridinyl)butan-1-one
CID 14343356
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
1-quinolin-5-ylhexan-1-one
CID 115789824
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide?
The IUPAC name of N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide (CID 58982080) is N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide?
The canonical SMILES for N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide is CSc1ncccc1C(=O)CCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide?
The InChIKey is YBSIVKCTHYZSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20-14-11(7-6-10-15-14)12(17)8-4-2-3-5-9-13(18)16-19/h6-7,10,19H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide?
N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide has a molecular weight of 296.39 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide is sourced from PubChem (CID 58982080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).