2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide

C14H28N2O2S — CID 173435164

IUPAC2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide
SMILESCCCCCC(CCCC)(SC)C(=O)N(C)C=NO
InChIInChI=1S/C14H28N2O2S/c1-5-7-9-11-14(19-4,10-8-6-2)13(17)16(3)12-15-18/h12,18H,5-11H2,1-4H3
InChIKeyZOMLRFOEENBJBT-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.73
Rot. Bonds10

About 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide

2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide (PubChem CID 173435164) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide.

Molecular Properties

Compound Name2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide
PubChem CID173435164
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide
SMILESCCCCCC(CCCC)(SC)C(=O)N(C)C=NO
InChIInChI=1S/C14H28N2O2S/c1-5-7-9-11-14(19-4,10-8-6-2)13(17)16(3)12-15-18/h12,18H,5-11H2,1-4H3
InChIKeyZOMLRFOEENBJBT-UHFFFAOYSA-N
XLogP3.73
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-heptylsulfanyl-N-(hydroxyiminomethyl)-N,2-dimethylpropanamide
CID 173435206
2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide
CID 56986045
2-(2-carboxylatododecan-2-ylsulfanyl)-2-decyltridecanoate
CID 18993890
2-methylsulfanyl-2-propylpentanoic acid
CID 61343115
2-ethyl-2-[formyl(methyl)amino]hexanoic acid
CID 63950848
2-(dimethylamino)-2-octadecylicosanoic acid
CID 141120188
2,2-bis(sulfanyl)octanethioic S-acid
CID 175527063
calcium 2,2-didodecylpropanedioate
CID 153423845
dipotassium;2,2-dipentylpropanedioate
CID 139411547
2,2-difluoro-N-methoxy-N-methyltetradecanamide
CID 89479266
N-(3-formylheptan-3-ylsulfanyl)-N-methylcarbamoyl chloride
CID 54047287
1-amino-2-(hydroxymethyl)-1-oxo-2-sulfosulfanyltetradecane
CID 121232507

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide?
The IUPAC name of 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide (CID 173435164) is 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide.
What is the SMILES notation for 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide?
The canonical SMILES for 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide is CCCCCC(CCCC)(SC)C(=O)N(C)C=NO.
What is the InChIKey of 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide?
The InChIKey is ZOMLRFOEENBJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-5-7-9-11-14(19-4,10-8-6-2)13(17)16(3)12-15-18/h12,18H,5-11H2,1-4H3.
What are the key properties of 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide?
2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide has a molecular weight of 288.46 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide is sourced from PubChem (CID 173435164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).