N-[(E)-1-phenylpropylideneamino]methanesulfonamide

C10H14N2O2S — CID 5333653

IUPACN-[(E)-1-phenylpropylideneamino]methanesulfonamide
SMILESCC/C(=N\NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c1-3-10(11-12-15(2,13)14)9-7-5-4-6-8-9/h4-8,12H,3H2,1-2H3/b11-10+
InChIKeyBOPDQWGJJSCAHW-ZHACJKMWSA-N
MW226.30 g/mol
LogP1.35
Rot. Bonds4

About N-[(E)-1-phenylpropylideneamino]methanesulfonamide

N-[(E)-1-phenylpropylideneamino]methanesulfonamide (PubChem CID 5333653) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(E)-1-phenylpropylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-phenylpropylideneamino]methanesulfonamide
PubChem CID5333653
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[(E)-1-phenylpropylideneamino]methanesulfonamide
SMILESCC/C(=N\NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c1-3-10(11-12-15(2,13)14)9-7-5-4-6-8-9/h4-8,12H,3H2,1-2H3/b11-10+
InChIKeyBOPDQWGJJSCAHW-ZHACJKMWSA-N
XLogP1.35
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-(1-phenylheptylidene)methanesulfonohydrazide
CID 5333778
N'-(1-phenylethylidene)methanesulfonohydrazide
CID 5339778
Acetone p-tosylhydrazone
CID 265413
3-Pentanone p-Toluenesulfonylhydrazone
CID 277909
N'-[1-(4-methylphenyl)ethylidene]methanesulfonohydrazide
CID 5333863
3-methyl-5-phenyl-2H-1,2,6-thiadiazine 1,1-dioxide
CID 12196529
N'-Cyclododecylidene-4-methylbenzenesulfonohydrazide
CID 380698
4-Methyl-N'-(1-phenylethylidene)benzene-1-sulfonohydrazide
CID 277864
(Z)-(1-phenylethylidene)hydrazine
CID 5486169
N'-(1-phenylethylidene)benzenesulfonohydrazide
CID 9569840
Acetophenone tosylhydrazone
CID 5391368
4-methyl-N'-[(1Z)-1-phenylethylidene]benzenesulfonohydrazide
CID 6287802

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylpropylideneamino]methanesulfonamide?
The IUPAC name of N-[(E)-1-phenylpropylideneamino]methanesulfonamide (CID 5333653) is N-[(E)-1-phenylpropylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(E)-1-phenylpropylideneamino]methanesulfonamide?
The canonical SMILES for N-[(E)-1-phenylpropylideneamino]methanesulfonamide is CC/C(=N\NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylpropylideneamino]methanesulfonamide?
The InChIKey is BOPDQWGJJSCAHW-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-10(11-12-15(2,13)14)9-7-5-4-6-8-9/h4-8,12H,3H2,1-2H3/b11-10+.
What are the key properties of N-[(E)-1-phenylpropylideneamino]methanesulfonamide?
N-[(E)-1-phenylpropylideneamino]methanesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylpropylideneamino]methanesulfonamide is sourced from PubChem (CID 5333653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).