N'-(2-methylsulfanylacetyl)pentanehydrazide

C8H16N2O2S — CID 91403482

IUPACN'-(2-methylsulfanylacetyl)pentanehydrazide
SMILESCCCCC(=O)NNC(=O)CSC
InChIInChI=1S/C8H16N2O2S/c1-3-4-5-7(11)9-10-8(12)6-13-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyCFTOLAKQXNWTLS-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.69
Rot. Bonds5

About N'-(2-methylsulfanylacetyl)pentanehydrazide

N'-(2-methylsulfanylacetyl)pentanehydrazide (PubChem CID 91403482) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N'-(2-methylsulfanylacetyl)pentanehydrazide.

Molecular Properties

Compound NameN'-(2-methylsulfanylacetyl)pentanehydrazide
PubChem CID91403482
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN'-(2-methylsulfanylacetyl)pentanehydrazide
SMILESCCCCC(=O)NNC(=O)CSC
InChIInChI=1S/C8H16N2O2S/c1-3-4-5-7(11)9-10-8(12)6-13-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyCFTOLAKQXNWTLS-UHFFFAOYSA-N
XLogP0.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfanylacetyl)pentanehydrazide?
The IUPAC name of N'-(2-methylsulfanylacetyl)pentanehydrazide (CID 91403482) is N'-(2-methylsulfanylacetyl)pentanehydrazide.
What is the SMILES notation for N'-(2-methylsulfanylacetyl)pentanehydrazide?
The canonical SMILES for N'-(2-methylsulfanylacetyl)pentanehydrazide is CCCCC(=O)NNC(=O)CSC.
What is the InChIKey of N'-(2-methylsulfanylacetyl)pentanehydrazide?
The InChIKey is CFTOLAKQXNWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-4-5-7(11)9-10-8(12)6-13-2/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N'-(2-methylsulfanylacetyl)pentanehydrazide?
N'-(2-methylsulfanylacetyl)pentanehydrazide has a molecular weight of 204.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfanylacetyl)pentanehydrazide is sourced from PubChem (CID 91403482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).