(Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine

C11H15NO3S — CID 6374209

IUPAC(Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine
SMILESCO/N=C(/C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-10(12-15-2)8-9-16(13,14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10-
InChIKeyXCASSGSJMWIVLG-BENRWUELSA-N
MW241.31 g/mol
LogP1.87
Rot. Bonds5

About (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine

(Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine (PubChem CID 6374209) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine.

Molecular Properties

Compound Name(Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine
PubChem CID6374209
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine
SMILESCO/N=C(/C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-10(12-15-2)8-9-16(13,14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10-
InChIKeyXCASSGSJMWIVLG-BENRWUELSA-N
XLogP1.87
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine?
The IUPAC name of (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine (CID 6374209) is (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine.
What is the SMILES notation for (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine?
The canonical SMILES for (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine is CO/N=C(/C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine?
The InChIKey is XCASSGSJMWIVLG-BENRWUELSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-10(12-15-2)8-9-16(13,14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10-.
What are the key properties of (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine?
(Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine has a molecular weight of 241.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(benzenesulfonyl)-N-methoxybutan-2-imine is sourced from PubChem (CID 6374209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).