4-(furan-2-ylmethylsulfanyl)pentanehydrazide

C10H16N2O2S — CID 63581757

IUPAC4-(furan-2-ylmethylsulfanyl)pentanehydrazide
SMILESCC(CCC(=O)NN)SCc1ccco1
InChIInChI=1S/C10H16N2O2S/c1-8(4-5-10(13)12-11)15-7-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3,(H,12,13)
InChIKeyYIIBNYBGPYNONO-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.67
Rot. Bonds6

About 4-(furan-2-ylmethylsulfanyl)pentanehydrazide

4-(furan-2-ylmethylsulfanyl)pentanehydrazide (PubChem CID 63581757) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)pentanehydrazide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)pentanehydrazide
PubChem CID63581757
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(furan-2-ylmethylsulfanyl)pentanehydrazide
SMILESCC(CCC(=O)NN)SCc1ccco1
InChIInChI=1S/C10H16N2O2S/c1-8(4-5-10(13)12-11)15-7-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3,(H,12,13)
InChIKeyYIIBNYBGPYNONO-UHFFFAOYSA-N
XLogP1.67
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
CID 62576135
4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 79141495
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66229322
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
4-(furan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 63034282
methyl 2-amino-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63034284
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)pentanehydrazide?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)pentanehydrazide (CID 63581757) is 4-(furan-2-ylmethylsulfanyl)pentanehydrazide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)pentanehydrazide?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)pentanehydrazide is CC(CCC(=O)NN)SCc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)pentanehydrazide?
The InChIKey is YIIBNYBGPYNONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(4-5-10(13)12-11)15-7-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3,(H,12,13).
What are the key properties of 4-(furan-2-ylmethylsulfanyl)pentanehydrazide?
4-(furan-2-ylmethylsulfanyl)pentanehydrazide has a molecular weight of 228.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)pentanehydrazide is sourced from PubChem (CID 63581757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).