N-hydroxy-31-sulfanylhentriacontanamide

C31H63NO2S — CID 87684217

IUPACN-hydroxy-31-sulfanylhentriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)NO
InChIInChI=1S/C31H63NO2S/c33-31(32-34)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35/h34-35H,1-30H2,(H,32,33)
InChIKeyLZVUEOBGTMNNFB-UHFFFAOYSA-N
MW513.92 g/mol
LogP10.73
Rot. Bonds30

About N-hydroxy-31-sulfanylhentriacontanamide

N-hydroxy-31-sulfanylhentriacontanamide (PubChem CID 87684217) has the molecular formula C31H63NO2S and a molecular weight of 513.92 g/mol. Its IUPAC name is N-hydroxy-31-sulfanylhentriacontanamide.

Molecular Properties

Compound NameN-hydroxy-31-sulfanylhentriacontanamide
PubChem CID87684217
Molecular FormulaC31H63NO2S
Molecular Weight513.92 g/mol
Exact Mass513.46
IUPAC NameN-hydroxy-31-sulfanylhentriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)NO
InChIInChI=1S/C31H63NO2S/c33-31(32-34)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35/h34-35H,1-30H2,(H,32,33)
InChIKeyLZVUEOBGTMNNFB-UHFFFAOYSA-N
XLogP10.73
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.92
LogP ≤ 510.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-26-sulfanylhexacosanamide
CID 87681311
N-hydroxy-11-sulfanylundecanamide
CID 87682134
N-methyl-6-sulfanylhexanamide
CID 58262294
N,16-dihydroxyhexadecanamide
CID 87686064
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
30-(hydroxyamino)-30-oxotriacontanedithioic acid
CID 87685911
1,13-bis(sulfanyl)tridecan-7-one
CID 151077542
14-chloro-N-hydroxytetradecanamide
CID 87682446
20-bromo-N-hydroxyicosanamide
CID 87683991
14-amino-N-hydroxytetradecanamide
CID 87686192

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-31-sulfanylhentriacontanamide?
The IUPAC name of N-hydroxy-31-sulfanylhentriacontanamide (CID 87684217) is N-hydroxy-31-sulfanylhentriacontanamide.
What is the SMILES notation for N-hydroxy-31-sulfanylhentriacontanamide?
The canonical SMILES for N-hydroxy-31-sulfanylhentriacontanamide is O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)NO.
What is the InChIKey of N-hydroxy-31-sulfanylhentriacontanamide?
The InChIKey is LZVUEOBGTMNNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63NO2S/c33-31(32-34)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35/h34-35H,1-30H2,(H,32,33).
What are the key properties of N-hydroxy-31-sulfanylhentriacontanamide?
N-hydroxy-31-sulfanylhentriacontanamide has a molecular weight of 513.92 g/mol, XLogP of 10.73, 30 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-31-sulfanylhentriacontanamide is sourced from PubChem (CID 87684217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).