3-cyclopentylsulfanylpropanehydrazide

C8H16N2OS — CID 60782274

IUPAC3-cyclopentylsulfanylpropanehydrazide
SMILESNNC(=O)CCSC1CCCC1
InChIInChI=1S/C8H16N2OS/c9-10-8(11)5-6-12-7-3-1-2-4-7/h7H,1-6,9H2,(H,10,11)
InChIKeyAHGCHANRAPAWSK-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.04
Rot. Bonds4

About 3-cyclopentylsulfanylpropanehydrazide

3-cyclopentylsulfanylpropanehydrazide (PubChem CID 60782274) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-cyclopentylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-cyclopentylsulfanylpropanehydrazide
PubChem CID60782274
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name3-cyclopentylsulfanylpropanehydrazide
SMILESNNC(=O)CCSC1CCCC1
InChIInChI=1S/C8H16N2OS/c9-10-8(11)5-6-12-7-3-1-2-4-7/h7H,1-6,9H2,(H,10,11)
InChIKeyAHGCHANRAPAWSK-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.04
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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Related Compounds

3-(Cyclopentylsulfanyl)-2,2-difluoropropanehydrazide
CID 165874640
3-[2,3-Bis[(3-hydrazinyl-3-oxopropyl)sulfanyl]propylsulfanyl]propanehydrazide
CID 11361526
2-[2,3-Bis[(1-hydrazinyl-1-oxopropan-2-yl)sulfanyl]propylsulfanyl]propanehydrazide
CID 18185479
3-[2-(3-Hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 18915478
3-Dodecylsulfanylpropanehydrazide
CID 19905629
3-Ethylsulfanylpropanehydrazide
CID 19905630
3-Decylsulfanylpropanehydrazide
CID 19905636
3-Hexylsulfanylpropanehydrazide
CID 19905637
3-Butylsulfanylpropanehydrazide
CID 19905640
3-Octylsulfanylpropanehydrazide
CID 19905644
2-[2,3-Bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide
CID 23386225
2-Hexylsulfanylpropanehydrazide
CID 57320133

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanylpropanehydrazide?
The IUPAC name of 3-cyclopentylsulfanylpropanehydrazide (CID 60782274) is 3-cyclopentylsulfanylpropanehydrazide.
What is the SMILES notation for 3-cyclopentylsulfanylpropanehydrazide?
The canonical SMILES for 3-cyclopentylsulfanylpropanehydrazide is NNC(=O)CCSC1CCCC1.
What is the InChIKey of 3-cyclopentylsulfanylpropanehydrazide?
The InChIKey is AHGCHANRAPAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c9-10-8(11)5-6-12-7-3-1-2-4-7/h7H,1-6,9H2,(H,10,11).
What are the key properties of 3-cyclopentylsulfanylpropanehydrazide?
3-cyclopentylsulfanylpropanehydrazide has a molecular weight of 188.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanylpropanehydrazide is sourced from PubChem (CID 60782274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).