N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide

C18H36N2O4S2 — CID 88515625

IUPACN-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide
SMILESCCCCCCCC(SSC(CCCCCCC)C(=O)NO)C(=O)NO
InChIInChI=1S/C18H36N2O4S2/c1-3-5-7-9-11-13-15(17(21)19-23)25-26-16(18(22)20-24)14-12-10-8-6-4-2/h15-16,23-24H,3-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNISOHHLFLBGOMG-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.84
Rot. Bonds17

About N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide

N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide (PubChem CID 88515625) has the molecular formula C18H36N2O4S2 and a molecular weight of 408.63 g/mol. Its IUPAC name is N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide
PubChem CID88515625
Molecular FormulaC18H36N2O4S2
Molecular Weight408.63 g/mol
Exact Mass408.21
IUPAC NameN-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide
SMILESCCCCCCCC(SSC(CCCCCCC)C(=O)NO)C(=O)NO
InChIInChI=1S/C18H36N2O4S2/c1-3-5-7-9-11-13-15(17(21)19-23)25-26-16(18(22)20-24)14-12-10-8-6-4-2/h15-16,23-24H,3-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNISOHHLFLBGOMG-UHFFFAOYSA-N
XLogP4.84
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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

2-hexyl-N-hydroxyoctanamide
CID 139661264
3-methylsulfanyldecan-2-one
CID 13111915
N,10-dihydroxyoctadecanamide
CID 146268733
2-(4-but-1-ynoxyphenyl)sulfanyl-N-hydroxyoctanamide
CID 141025573
2-(disulfanyl)undecanoic acid
CID 141134251
N-hydroxytridecanamide
CID 14122613
3-pentylnonan-2-one
CID 21290467
N-dodecan-2-ylpropanamide
CID 174988669
2-acetylsulfanyloctanoic acid
CID 87865763
2-acetylsulfanylhexadecanoic acid
CID 118540049
2-hexylsulfanyldecanoyl chloride
CID 19027841
4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid
CID 86196157

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide?
The IUPAC name of N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide (CID 88515625) is N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide.
What is the SMILES notation for N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide?
The canonical SMILES for N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide is CCCCCCCC(SSC(CCCCCCC)C(=O)NO)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide?
The InChIKey is NISOHHLFLBGOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4S2/c1-3-5-7-9-11-13-15(17(21)19-23)25-26-16(18(22)20-24)14-12-10-8-6-4-2/h15-16,23-24H,3-14H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide?
N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide has a molecular weight of 408.63 g/mol, XLogP of 4.84, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-(hydroxyamino)-1-oxononan-2-yl]disulfanyl]nonanamide is sourced from PubChem (CID 88515625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).