2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide

C15H32N2O3S — CID 91309093

IUPAC2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide
SMILESCCCCCCCCCCC(S)OCCOCC(=O)NN
InChIInChI=1S/C15H32N2O3S/c1-2-3-4-5-6-7-8-9-10-15(21)20-12-11-19-13-14(18)17-16/h15,21H,2-13,16H2,1H3,(H,17,18)
InChIKeyBFVNZIJQJMSFLZ-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.80
Rot. Bonds15

About 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide

2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide (PubChem CID 91309093) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide
PubChem CID91309093
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC Name2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide
SMILESCCCCCCCCCCC(S)OCCOCC(=O)NN
InChIInChI=1S/C15H32N2O3S/c1-2-3-4-5-6-7-8-9-10-15(21)20-12-11-19-13-14(18)17-16/h15,21H,2-13,16H2,1H3,(H,17,18)
InChIKeyBFVNZIJQJMSFLZ-UHFFFAOYSA-N
XLogP2.80
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)acetohydrazide
CID 43237114
2-(3-methylbutoxy)acetohydrazide
CID 63588728
2-decoxy-N-sulfanylacetamide
CID 150404301
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
methyl 2-sulfanylundecanoate
CID 90343263
octyl 2-sulfanyldecanoate;stannane
CID 173438957
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
methyl 2-undecyltridecanoate
CID 176610383
hexyl 2-sulfanylbutanoate;silver
CID 87502481
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
11-hydroxyoctadecanehydrazide;hydrochloride
CID 159475941

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide?
The IUPAC name of 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide (CID 91309093) is 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide.
What is the SMILES notation for 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide?
The canonical SMILES for 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide is CCCCCCCCCCC(S)OCCOCC(=O)NN.
What is the InChIKey of 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide?
The InChIKey is BFVNZIJQJMSFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-2-3-4-5-6-7-8-9-10-15(21)20-12-11-19-13-14(18)17-16/h15,21H,2-13,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide?
2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide has a molecular weight of 320.50 g/mol, XLogP of 2.80, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-sulfanylundecoxy)ethoxy]acetohydrazide is sourced from PubChem (CID 91309093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).