N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide

C8H12N2O3S — CID 57301987

IUPACN'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide
SMILESCC=CS(=O)(=O)NNCc1ccco1
InChIInChI=1S/C8H12N2O3S/c1-2-6-14(11,12)10-9-7-8-4-3-5-13-8/h2-6,9-10H,7H2,1H3
InChIKeyQGOKRDJIHYURNT-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.74
Rot. Bonds5

About N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide

N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide (PubChem CID 57301987) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide
PubChem CID57301987
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC NameN'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide
SMILESCC=CS(=O)(=O)NNCc1ccco1
InChIInChI=1S/C8H12N2O3S/c1-2-6-14(11,12)10-9-7-8-4-3-5-13-8/h2-6,9-10H,7H2,1H3
InChIKeyQGOKRDJIHYURNT-UHFFFAOYSA-N
XLogP0.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
CID 57320654
1-(furan-2-ylmethyl)-2-methylhydrazine
CID 119094029
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
acetaldehyde;2-(chloromethyl)furan
CID 174376101
(furan-2-ylmethylamino) formate
CID 174755937
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
furan-2-ylmethylhydrazine;dihydrochloride
CID 53402165
N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 91811051
N-(furan-2-ylmethyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 38254483

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide?
The IUPAC name of N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide (CID 57301987) is N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide.
What is the SMILES notation for N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide?
The canonical SMILES for N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide is CC=CS(=O)(=O)NNCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide?
The InChIKey is QGOKRDJIHYURNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-2-6-14(11,12)10-9-7-8-4-3-5-13-8/h2-6,9-10H,7H2,1H3.
What are the key properties of N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide?
N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide has a molecular weight of 216.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)prop-1-ene-1-sulfonohydrazide is sourced from PubChem (CID 57301987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).