2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide

C14H20N2OS — CID 115465739

IUPAC2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CSC1CCCC1
InChIInChI=1S/C14H20N2OS/c15-16-14(17)9-11-5-1-2-6-12(11)10-18-13-7-3-4-8-13/h1-2,5-6,13H,3-4,7-10,15H2,(H,16,17)
InChIKeyDRWZGXZVXQPGTI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide

2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide (PubChem CID 115465739) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide
PubChem CID115465739
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CSC1CCCC1
InChIInChI=1S/C14H20N2OS/c15-16-14(17)9-11-5-1-2-6-12(11)10-18-13-7-3-4-8-13/h1-2,5-6,13H,3-4,7-10,15H2,(H,16,17)
InChIKeyDRWZGXZVXQPGTI-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide (CID 115465739) is 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccccc1CSC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide?
The InChIKey is DRWZGXZVXQPGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-16-14(17)9-11-5-1-2-6-12(11)10-18-13-7-3-4-8-13/h1-2,5-6,13H,3-4,7-10,15H2,(H,16,17).
What are the key properties of 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide?
2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide has a molecular weight of 264.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide is sourced from PubChem (CID 115465739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).