N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide

C11H16N2O2S — CID 5333769

IUPACN-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
SMILESC/C(CCc1ccccc1)=N/NS(C)(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-10(12-13-16(2,14)15)8-9-11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3/b12-10-
InChIKeyNGTKXXGJVWJMBV-BENRWUELSA-N
MW240.33 g/mol
LogP1.54
Rot. Bonds5

About N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide

N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide (PubChem CID 5333769) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
PubChem CID5333769
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
SMILESC/C(CCc1ccccc1)=N/NS(C)(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-10(12-13-16(2,14)15)8-9-11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3/b12-10-
InChIKeyNGTKXXGJVWJMBV-BENRWUELSA-N
XLogP1.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.54
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

methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
4-methyl-3-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzenesulfonamide
CID 9070341
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-4-phenylbutan-2-ylideneamino]acetamide
CID 126029961
N-(benzhydrylideneamino)methanesulfonamide
CID 22613527
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
CID 3693486
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
CID 579777
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 46919896

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide?
The IUPAC name of N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide (CID 5333769) is N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide?
The canonical SMILES for N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide is C/C(CCc1ccccc1)=N/NS(C)(=O)=O.
What is the InChIKey of N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide?
The InChIKey is NGTKXXGJVWJMBV-BENRWUELSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-10(12-13-16(2,14)15)8-9-11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3/b12-10-.
What are the key properties of N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide?
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide is sourced from PubChem (CID 5333769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).