4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide

C10H16N2O3S — CID 66126413

IUPAC4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CSCCCO
InChIInChI=1S/C10H16N2O3S/c1-7-8(6-16-4-2-3-13)5-9(15-7)10(14)12-11/h5,13H,2-4,6,11H2,1H3,(H,12,14)
InChIKeyODDMYEDGHKVTDV-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.81
Rot. Bonds6

About 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide

4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide (PubChem CID 66126413) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide
PubChem CID66126413
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CSCCCO
InChIInChI=1S/C10H16N2O3S/c1-7-8(6-16-4-2-3-13)5-9(15-7)10(14)12-11/h5,13H,2-4,6,11H2,1H3,(H,12,14)
InChIKeyODDMYEDGHKVTDV-UHFFFAOYSA-N
XLogP0.81
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide (CID 66126413) is 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CSCCCO.
What is the InChIKey of 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide?
The InChIKey is ODDMYEDGHKVTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7-8(6-16-4-2-3-13)5-9(15-7)10(14)12-11/h5,13H,2-4,6,11H2,1H3,(H,12,14).
What are the key properties of 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide?
4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide has a molecular weight of 244.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 66126413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).