N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide

C13H18N2O2S — CID 3079975

IUPACN-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCN1CCCC1=NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H18N2O2S/c1-3-15-10-4-5-13(15)14-18(16,17)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyVOVUJSDXAUJRRJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds3

About N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide

N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 3079975) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID3079975
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCN1CCCC1=NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H18N2O2S/c1-3-15-10-4-5-13(15)14-18(16,17)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyVOVUJSDXAUJRRJ-UHFFFAOYSA-N
XLogP2.20
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
CID 44597895
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
4-amino-N-(1-butylpyrrolidin-2-ylidene)benzenesulfonamide
CID 3079984
(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373548
(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373547
methyl 4-[(Z)-(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
CID 6510241
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298
(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide
CID 13373549
(NE)-4-chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
CID 13373538
3-[(2E)-2-[(4-methylphenyl)sulfonylmethylidene]pyrrolidin-1-yl]propan-1-ol
CID 11162242
N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide
CID 10881850

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide (CID 3079975) is N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide is CCN1CCCC1=NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is VOVUJSDXAUJRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-15-10-4-5-13(15)14-18(16,17)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide?
N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3079975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).