(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide

C15H20N2O2S — CID 44597895

IUPAC(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
SMILESC=CCN1CCCC/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O2S/c1-3-11-17-12-5-4-6-15(17)16-20(18,19)14-9-7-13(2)8-10-14/h3,7-10H,1,4-6,11-12H2,2H3/b16-15+
InChIKeyNJHJIMCRHWLMLN-FOCLMDBBSA-N
MW292.40 g/mol
LogP2.75
Rot. Bonds4

About (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide

(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide (PubChem CID 44597895) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
PubChem CID44597895
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
SMILESC=CCN1CCCC/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O2S/c1-3-11-17-12-5-4-6-15(17)16-20(18,19)14-9-7-13(2)8-10-14/h3,7-10H,1,4-6,11-12H2,2H3/b16-15+
InChIKeyNJHJIMCRHWLMLN-FOCLMDBBSA-N
XLogP2.75
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 3079975
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
(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
(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide
CID 13373549
(NE)-4-chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
CID 13373538
4-amino-N-(1-butylpyrrolidin-2-ylidene)benzenesulfonamide
CID 3079984
methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane
CID 143971562
N-(4-chloro-5-formyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 2049819
9-(4-methylphenyl)sulfonyl-2,3,4,6,7,8-hexahydro-1H-quinolizine
CID 11150480
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide (CID 44597895) is (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide is C=CCN1CCCC/C1=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide?
The InChIKey is NJHJIMCRHWLMLN-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-11-17-12-5-4-6-15(17)16-20(18,19)14-9-7-13(2)8-10-14/h3,7-10H,1,4-6,11-12H2,2H3/b16-15+.
What are the key properties of (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide?
(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 44597895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).