3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide

C12H18N2O2S — CID 66322938

IUPAC3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1COCC1CCCC1
InChIInChI=1S/C12H18N2O2S/c13-14-12(15)11-10(5-6-17-11)8-16-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8,13H2,(H,14,15)
InChIKeyHGHWWBXACIVCHJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.06
Rot. Bonds5

About 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide

3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide (PubChem CID 66322938) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
PubChem CID66322938
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1COCC1CCCC1
InChIInChI=1S/C12H18N2O2S/c13-14-12(15)11-10(5-6-17-11)8-16-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8,13H2,(H,14,15)
InChIKeyHGHWWBXACIVCHJ-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.06
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

3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549
3-(cyclopentylmethoxymethyl)-1-benzothiophene-2-carbohydrazide
CID 66323152
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639193
2-(cyclopropylmethoxymethyl)benzohydrazide
CID 63575207
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide
CID 63569313
3-(2-ethylhexoxymethyl)thiophene-2-carbohydrazide
CID 63639180
5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide
CID 66322936
3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640372
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide (CID 66322938) is 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide is NNC(=O)c1sccc1COCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide?
The InChIKey is HGHWWBXACIVCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-14-12(15)11-10(5-6-17-11)8-16-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8,13H2,(H,14,15).
What are the key properties of 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide?
3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide has a molecular weight of 254.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 66322938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).