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

C13H18N2O2S — CID 3022075

IUPAC4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2CCCCN2C)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
InChIKeyITJDLTLGOBEJBE-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds2

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

4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide (PubChem CID 3022075) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
PubChem CID3022075
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2CCCCN2C)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
InChIKeyITJDLTLGOBEJBE-UHFFFAOYSA-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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Related Compounds

(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
CID 44597895
N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 3079975
1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
CID 3080000
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55992179
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 55968842
(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373548
(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373547
cis-(1S,2R)-2-methyl-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
CID 52531851
N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60558045
2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 134058131

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide (CID 3022075) is 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2CCCCN2C)cc1.
What is the InChIKey of 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
The InChIKey is ITJDLTLGOBEJBE-UHFFFAOYSA-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.
What are the key properties of 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide?
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 4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 3022075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).