[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea

C9H14N4O4S — CID 133225233

IUPAC[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
SMILESCN(Cc1ccc(/C=N/NC(N)=O)o1)S(C)(=O)=O
InChIInChI=1S/C9H14N4O4S/c1-13(18(2,15)16)6-8-4-3-7(17-8)5-11-12-9(10)14/h3-5H,6H2,1-2H3,(H3,10,12,14)/b11-5+
InChIKeyKDALSIRRQNGFPS-VZUCSPMQSA-N
MW274.30 g/mol
LogP-0.33
Rot. Bonds5

About [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea

[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea (PubChem CID 133225233) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
PubChem CID133225233
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
SMILESCN(Cc1ccc(/C=N/NC(N)=O)o1)S(C)(=O)=O
InChIInChI=1S/C9H14N4O4S/c1-13(18(2,15)16)6-8-4-3-7(17-8)5-11-12-9(10)14/h3-5H,6H2,1-2H3,(H3,10,12,14)/b11-5+
InChIKeyKDALSIRRQNGFPS-VZUCSPMQSA-N
XLogP-0.33
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea
CID 99972923
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enoic acid
CID 44754698
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]urea
CID 99972908
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 92671335
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
(E)-N-(2,5-dichlorophenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671353
[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium
CID 89247186
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea?
The IUPAC name of [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea (CID 133225233) is [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea.
What is the SMILES notation for [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea?
The canonical SMILES for [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea is CN(Cc1ccc(/C=N/NC(N)=O)o1)S(C)(=O)=O.
What is the InChIKey of [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea?
The InChIKey is KDALSIRRQNGFPS-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-13(18(2,15)16)6-8-4-3-7(17-8)5-11-12-9(10)14/h3-5H,6H2,1-2H3,(H3,10,12,14)/b11-5+.
What are the key properties of [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea?
[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea has a molecular weight of 274.30 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea is sourced from PubChem (CID 133225233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).