methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate

C10H14N2O4S — CID 55213505

IUPACmethyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate
SMILESCOC(=O)CCSCc1ccoc1C(=O)NN
InChIInChI=1S/C10H14N2O4S/c1-15-8(13)3-5-17-6-7-2-4-16-9(7)10(14)12-11/h2,4H,3,5-6,11H2,1H3,(H,12,14)
InChIKeyANQYYFVOTUSRIK-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.68
Rot. Bonds6

About methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate

methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate (PubChem CID 55213505) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate
PubChem CID55213505
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate
SMILESCOC(=O)CCSCc1ccoc1C(=O)NN
InChIInChI=1S/C10H14N2O4S/c1-15-8(13)3-5-17-6-7-2-4-16-9(7)10(14)12-11/h2,4H,3,5-6,11H2,1H3,(H,12,14)
InChIKeyANQYYFVOTUSRIK-UHFFFAOYSA-N
XLogP0.68
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]propanoate
CID 63581586
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63580715
(2S)-2-amino-3-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid
CID 93040370
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
methyl 3-[(5-amino-2-hydroxyphenyl)methylsulfanyl]propanoate
CID 43617731
methyl 3-[(3-amino-2-methylpropyl)sulfanylmethyl]furan-2-carboxylate
CID 66224974
3-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581352
2-[(3-methoxy-3-oxopropyl)sulfanylmethyl]benzoic acid
CID 43423006
3-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581739
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
methyl 3-[(4-amino-2-methoxyphenyl)methylsulfanyl]propanoate
CID 114112310

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate?
The IUPAC name of methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate (CID 55213505) is methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate.
What is the SMILES notation for methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate?
The canonical SMILES for methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate is COC(=O)CCSCc1ccoc1C(=O)NN.
What is the InChIKey of methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate?
The InChIKey is ANQYYFVOTUSRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-15-8(13)3-5-17-6-7-2-4-16-9(7)10(14)12-11/h2,4H,3,5-6,11H2,1H3,(H,12,14).
What are the key properties of methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate?
methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate has a molecular weight of 258.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate is sourced from PubChem (CID 55213505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).