3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide

C10H15N3O3S — CID 106674279

IUPAC3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CC(O)C(O)C1
InChIInChI=1S/C10H15N3O3S/c11-12-10(16)9-6(1-2-17-9)3-13-4-7(14)8(15)5-13/h1-2,7-8,14-15H,3-5,11H2,(H,12,16)
InChIKeyNCYIUDSFFYVZTJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP-1.11
Rot. Bonds3

About 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide

3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 106674279) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID106674279
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CC(O)C(O)C1
InChIInChI=1S/C10H15N3O3S/c11-12-10(16)9-6(1-2-17-9)3-13-4-7(14)8(15)5-13/h1-2,7-8,14-15H,3-5,11H2,(H,12,16)
InChIKeyNCYIUDSFFYVZTJ-UHFFFAOYSA-N
XLogP-1.11
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 102968725
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 107395848
3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide
CID 63640929
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641106

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 106674279) is 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1CN1CC(O)C(O)C1.
What is the InChIKey of 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is NCYIUDSFFYVZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-12-10(16)9-6(1-2-17-9)3-13-4-7(14)8(15)5-13/h1-2,7-8,14-15H,3-5,11H2,(H,12,16).
What are the key properties of 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 257.31 g/mol, XLogP of -1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 106674279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).