(NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide

C13H18N2O2S — CID 6366205

IUPAC(NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/CCCCN2C)cc1
InChIInChI=1S/C13H18N2O2S/c1-11-6-8-12(9-7-11)18(16,17)14-13-5-3-4-10-15(13)2/h6-9H,3-5,10H2,1-2H3/b14-13-
InChIKeyITJDLTLGOBEJBE-YPKPFQOOSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds2

About (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide

(NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide (PubChem CID 6366205) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
PubChem CID6366205
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/CCCCN2C)cc1
InChIInChI=1S/C13H18N2O2S/c1-11-6-8-12(9-7-11)18(16,17)14-13-5-3-4-10-15(13)2/h6-9H,3-5,10H2,1-2H3/b14-13-
InChIKeyITJDLTLGOBEJBE-YPKPFQOOSA-N
XLogP2.20
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide (CID 6366205) is (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2/CCCCN2C)cc1.
What is the InChIKey of (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
The InChIKey is ITJDLTLGOBEJBE-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11-6-8-12(9-7-11)18(16,17)14-13-5-3-4-10-15(13)2/h6-9H,3-5,10H2,1-2H3/b14-13-.
What are the key properties of (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
(NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 6366205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).