4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide

C11H15N3O2S2 — CID 158671854

IUPAC4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide
SMILESNNC(=O)CCC(=O)CCSSc1ccccn1
InChIInChI=1S/C11H15N3O2S2/c12-14-10(16)5-4-9(15)6-8-17-18-11-3-1-2-7-13-11/h1-3,7H,4-6,8,12H2,(H,14,16)
InChIKeySMOWSZWRMOMVQQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.55
Rot. Bonds8

About 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide

4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide (PubChem CID 158671854) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide.

Molecular Properties

Compound Name4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide
PubChem CID158671854
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide
SMILESNNC(=O)CCC(=O)CCSSc1ccccn1
InChIInChI=1S/C11H15N3O2S2/c12-14-10(16)5-4-9(15)6-8-17-18-11-3-1-2-7-13-11/h1-3,7H,4-6,8,12H2,(H,14,16)
InChIKeySMOWSZWRMOMVQQ-UHFFFAOYSA-N
XLogP1.55
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-oxo-8-(pyridin-2-yldisulfanyl)octyl]-3-(pyridin-2-yldisulfanyl)propanamide
CID 58435587
3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 143766978
3-(pyridin-2-yldisulfanyl)-N-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethyl]propanamide
CID 156598931
N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
CID 129099202
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
4-(2-carboxyethyl)-4-[3-(pyridin-2-yldisulfanyl)propanoylamino]heptanedioic acid
CID 58402443
6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoic acid
CID 12795574
N-(7-hydroxyheptyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59027440
N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59937202
4-(pyridin-2-yltrisulfanyl)butanoic acid
CID 164606651
3-[[hydroxy-[3-(pyridin-2-yldisulfanyl)propyl]phosphoryl]amino]propanoic acid
CID 157222868

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide?
The IUPAC name of 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide (CID 158671854) is 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide.
What is the SMILES notation for 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide?
The canonical SMILES for 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide is NNC(=O)CCC(=O)CCSSc1ccccn1.
What is the InChIKey of 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide?
The InChIKey is SMOWSZWRMOMVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c12-14-10(16)5-4-9(15)6-8-17-18-11-3-1-2-7-13-11/h1-3,7H,4-6,8,12H2,(H,14,16).
What are the key properties of 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide?
4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide has a molecular weight of 285.39 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide is sourced from PubChem (CID 158671854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).