[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea

C9H14N4O3S2 — CID 99972923

IUPAC[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea
SMILESCN(Cc1ccc(/C=N\NC(N)=S)o1)S(C)(=O)=O
InChIInChI=1S/C9H14N4O3S2/c1-13(18(2,14)15)6-8-4-3-7(16-8)5-11-12-9(10)17/h3-5H,6H2,1-2H3,(H3,10,12,17)/b11-5-
InChIKeyQJFKTAMFCIBKEP-WZUFQYTHSA-N
MW290.37 g/mol
LogP-0.16
Rot. Bonds5

About [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea

[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea (PubChem CID 99972923) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea
PubChem CID99972923
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC Name[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea
SMILESCN(Cc1ccc(/C=N\NC(N)=S)o1)S(C)(=O)=O
InChIInChI=1S/C9H14N4O3S2/c1-13(18(2,14)15)6-8-4-3-7(16-8)5-11-12-9(10)17/h3-5H,6H2,1-2H3,(H3,10,12,17)/b11-5-
InChIKeyQJFKTAMFCIBKEP-WZUFQYTHSA-N
XLogP-0.16
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.16
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
CID 133225233
[(5-methylfuran-2-yl)methylideneamino]thiourea
CID 711000
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enoic acid
CID 44754698
[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
CID 60723528
[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 5419039
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 92671335
[[4-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]thiourea
CID 168534598
ethyl 4-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 57360938
N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
[[5-(1,3-benzodioxol-5-yl)furan-2-yl]methylideneamino]thiourea
CID 76572375
[[4-bromo-5-(dimethylamino)furan-2-yl]methylideneamino]thiourea
CID 71437869
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868

Frequently Asked Questions

What is the IUPAC name of [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea?
The IUPAC name of [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea (CID 99972923) is [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea.
What is the SMILES notation for [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea?
The canonical SMILES for [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea is CN(Cc1ccc(/C=N\NC(N)=S)o1)S(C)(=O)=O.
What is the InChIKey of [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea?
The InChIKey is QJFKTAMFCIBKEP-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-13(18(2,14)15)6-8-4-3-7(16-8)5-11-12-9(10)17/h3-5H,6H2,1-2H3,(H3,10,12,17)/b11-5-.
What are the key properties of [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea?
[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea has a molecular weight of 290.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea is sourced from PubChem (CID 99972923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).