2-(2-thiophen-3-ylacetyl)pentanehydrazide

C11H16N2O2S — CID 141017390

IUPAC2-(2-thiophen-3-ylacetyl)pentanehydrazide
SMILESCCCC(C(=O)Cc1ccsc1)C(=O)NN
InChIInChI=1S/C11H16N2O2S/c1-2-3-9(11(15)13-12)10(14)6-8-4-5-16-7-8/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyXXXQLVDKHCQOAD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-thiophen-3-ylacetyl)pentanehydrazide

2-(2-thiophen-3-ylacetyl)pentanehydrazide (PubChem CID 141017390) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylacetyl)pentanehydrazide.

Molecular Properties

Compound Name2-(2-thiophen-3-ylacetyl)pentanehydrazide
PubChem CID141017390
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-thiophen-3-ylacetyl)pentanehydrazide
SMILESCCCC(C(=O)Cc1ccsc1)C(=O)NN
InChIInChI=1S/C11H16N2O2S/c1-2-3-9(11(15)13-12)10(14)6-8-4-5-16-7-8/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyXXXQLVDKHCQOAD-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
CID 116613568
4-amino-1-thiophen-3-ylheptan-2-one
CID 116607941
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
(2S)-2-amino-N-thiophen-3-ylpentanamide
CID 107570019
N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide
CID 61361495

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylacetyl)pentanehydrazide?
The IUPAC name of 2-(2-thiophen-3-ylacetyl)pentanehydrazide (CID 141017390) is 2-(2-thiophen-3-ylacetyl)pentanehydrazide.
What is the SMILES notation for 2-(2-thiophen-3-ylacetyl)pentanehydrazide?
The canonical SMILES for 2-(2-thiophen-3-ylacetyl)pentanehydrazide is CCCC(C(=O)Cc1ccsc1)C(=O)NN.
What is the InChIKey of 2-(2-thiophen-3-ylacetyl)pentanehydrazide?
The InChIKey is XXXQLVDKHCQOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-9(11(15)13-12)10(14)6-8-4-5-16-7-8/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-thiophen-3-ylacetyl)pentanehydrazide?
2-(2-thiophen-3-ylacetyl)pentanehydrazide has a molecular weight of 240.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylacetyl)pentanehydrazide is sourced from PubChem (CID 141017390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).